![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302 Kiʻi Manaʻo](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 263.25 | - |
| Lae hehee (Hoʻokolohua) | 177.1-178.3 °C | - |
| Lae paila (Wanamua) | 666.6±55.0 °C | Paʻi: 760 Torr |
| ʻAiʻa (Wanamua) | 1.50±0.1 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 11.20±0.20 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
ʻIsomeric SMILES C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
InChI
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/ h5,18H,2-4,6H2,1H3/t13-/m0/s1
InChI Ki
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Nā inoa ʻē aʻe no kēia mea
(4S) -4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) -trione (ACI); 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (S)- (ZCI); (4S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)trione; (4S)-4-Ethyl-4-
hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione; (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10 (4H)-trione
| Loaʻa nā waiwai |
| Optical a Scattering |
| Māmā |
Optical a Scattering
| Waiwai | Waiwai | Kūlana | Puna |
| Mana Rotatory Optical | +120.6 deg | c: 0.62 g/100mL; Mea hoʻoheheʻe: Chloroform | (1) IC |
| Mana Rotatory Optical | +120.57 deg | c: 0.62 g/100mL; Mea hoʻoheheʻe: Chloroform; Maha: 20 °C | (2) IC |
| Mana Rotatory Optical | +119.57 deg | c: 1.0 g/100mL; Mea hoʻoheheʻe: Chloroform; λ: 589.3 nm; Mahana: 25 °C | (3) CAS |
| Mana Rotatory Optical | +119.57 degere·mL/g·dm | c: 1.0 g/100mL; Mea hoʻoheheʻe: Chloroform; λ: Laina Sodium D; Mahana: 25 °C | (4) CAS |
| Mana Rotatory Optical | +117.6 deg | c: 0.56 g/100mL; Mea hoʻoheheʻe: Chloroform; Ka mahana: 23 °C | (5) IC |
| Mana Rotatory Optical | +116.14 degere·mL/g·dm | c: 1.0 g/100mL; Mea hoʻoheheʻe: Chloroform; λ: Laina Sodium D; Ka mahana: 26 °C | (4) CAS |
| Mana Rotatory Optical | +96 deg | c: 0.40 g/100mL; Ka mahana: 21 °C | (6) IC |
| Mana Rotatory Optical | +77.8 deg | c: 0.62 g/100mL; Mea hoʻoheheʻe: Chloroform; λ: 589.3 nm; Mahana: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi; ʻO ka Bulletin Chemical & Pharmaceutical, (1989), 37(12), 3382-5, CAplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.; Nūpepa o Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(4) Watanabe, Tatsuya; Kemika - He Nupepa ʻAsia, (2013), 8(3), 630-638, CAplus
(5) Ejima, Akio; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(6) Wani, Mansukh C.; Journal of Medicine Chemistry, (1987), 30(12), 2317-19, CAplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
Māmā
| Waiwai | Waiwai | Kūlana | Puna | |
| Lae hehee | 183-185 °C (decomp) | (1) CAS | ||
| Lae hehee | 177.1-178.3 °C | (2) CAS | ||
| Lae hehee | 176-177 °C (decomp) | (3) IC | ||
| Lae hehee | 169-170 °C | Mea hoʻoheheʻe: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
(2) Henegar, Kevin E.; Nūpepa o Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(3) Ejima, Akio; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(4) Wani, Mansukh C.; Journal of Medicine Chemistry, (1987), 30(12), 2317-19, CAplus
Loaʻa ka Spectra
1H NMR
Mass
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
| Māmā |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1.0 | pH 1; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 2; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 3; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 4; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 5; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 6; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 7; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 8; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 9; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 10; Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 7.37 | pH 1; Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2; Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3; Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4; Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5; Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6; Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 7.37 | pH 8; Mahana: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9; Mahana: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 1; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 2; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 3; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 4; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 5; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 6; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 7; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 8; Mahana: 25 °C | (1) ACD |
| logD | -0.94 | pH 9; Mahana: 25 °C | (1) ACD |
| logD | -0.96 | pH 10; Mahana: 25 °C | (1) ACD |
| logP | -0.936±0.842 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 371 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 1; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 2; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 3; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 4; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 5; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 6; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 7; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 8; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | pH 9; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 392 g/L | pH 10; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 371 g/L | Wai hoʻopaʻa ʻole pH 5.53; Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.41 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna | |
| Molar Solubility | 1.41 mol/L | pH 6; Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 7; Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 8; Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 9; Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.49 mol/L | pH 10; Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | Wai hoʻopaʻa ʻole pH 5.53; Mahana: 25 °C | (1) ACD | |
| Kaumaha Molekala | 263.25 | |||
| pKa | 11.20±0.20 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | ʻO ka mahana kumu loa: 25 °C | (1) ACD | |
| ʻO ke kaomi mahu | 1.29 x 10-20 | ʻO Torr | Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.50±0.1 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 174.8±5.0 knm3/mol | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 2 | (1) ACD | |
| H Ka poe e ae | 6 | (1) ACD | |
| H Kokua | 1 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 7 | (1) ACD | |
| logP | -0.936±0.842 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 263.25 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| Wahi Polar | 83.9 A2 | (1) ACD | |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 666.6±55.0 °C | Paʻi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 112.17±6.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 357.0±31.5 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
| Code | ʻŌlelo Hazard | Puna |
| H319 | Hoʻopilikia koʻikoʻi ka maka | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
| H302 | Poino ke aleia | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
ʻIke Pilikino Pilikino: Public
| Nā huaʻōlelo hoʻoponopono | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | Palani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | Palani |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Denemaka, Kelemānia |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Hōlani |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Denemaka, Kelemānia |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Hōlani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione | - | - |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | Pukiki, Paniolo |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Pukiki, Paniolo |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Ikalia |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Ikalia |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Kuekene |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Kuekene |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Pinilana |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Pinilana |
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