C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 371.35 | - |
| Lae hehee (Hoʻokolohua) | 152 °C | - |
| ʻAiʻa (Wanamua) | 1.70±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 7.87±0.43 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
ISOmeric SMILES O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H]( CO)[C@H]1O
InChI
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21- 16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26 )/t10-,12-,13-,17-/m1/s1
InChI Ki
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Nā inoa ʻē aʻe no kēia mea
Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl) - (8CI);N-Benzoyladenosine (ACI);N6-Benzoyladenosine
| Loaʻa nā waiwai |
| Māmā |
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae hehee | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya;Nā Kaʻina Hana - Ke Kulanui o ʻEpekema India, ʻEpekema Kemika, (1989), 101(5), 401-13, CAplus
Loaʻa ka Spectra
1H NMR
13C NMR
Hetero NMR
IR
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1.0 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.83 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.56 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.67 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.68 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.65 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.37 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.16 | 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 | 12.6 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7;Mahana: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | 0.12 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | 0.70 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | 0.85 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | 0.86 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 0.87 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 0.86 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 0.81 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 0.50 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | -0.24 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | -0.89 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 0.868±0.577 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 0.037 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.22 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.056 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.041 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.041 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.037 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.041 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.045 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.089 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.48 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.2 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Ka hoʻoheheʻe nui | 0.041 g/L | Wai hoʻopaʻa ʻole pH 5.93;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.0 x 10-4 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-4 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-4 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-4 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.2 x 10-4 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-4 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.0 x 10-3 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | Wai hoʻopaʻa ʻole pH 5.93;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 371.35 | ||
| pKa | 7.87±0.43 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | ʻO ka mahana kumu loa: 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 | 1.70±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 217.3±7.0 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 | 6 | (1) ACD | |
| H Ka poe e ae | 10 | (1) ACD | |
| H Kokua | 4 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 14 | (1) ACD | |
| logP | 0.868±0.577 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 371.35 |
(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 | 143 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)
Loaʻa ka Spectra
1H NMR
13C NMR
| Code | ʻŌlelo Hazard | Puna |
| H333 | He pōʻino paha ke inhaled | Hoʻoponopono ʻia ka loea |
| H303 | He pōʻino paha ke ʻai ʻia | Hoʻoponopono ʻia ka loea |
| 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. |
Papa Hooponopono: REACH, TCSI
ʻIke Pilikino Pilikino: Public
| Nā huaʻōlelo hoʻoponopono | ||
| Adenosine, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | REACH | - |
| N6-Benzoyladenosine | REACH | - |
Nā kikoʻī e ka ʻāina/International & Other Lists Country/Region Information Loaʻa
Hōʻuluʻulu Hui ʻEulopa
Ke kūlana Inventory ma REACH Papa inoa o nā mea i hoʻopaʻa inoa ʻia
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Ka helu helu helu EC: 610-251-3
Hōʻuluʻulu manaʻo o Taiwan
Kūlana Inventory ma TCSI Taiwan Government Ga
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