![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI) Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)
Helu Kakau CAS
3736-77-4
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 226.19 | - |
| Lae hehee (Hoʻokolohua) | 234-235 °C | - |
| Lae paila (Wanamua) | 456.3±55.0 °C | Paʻi: 760 Torr |
| ʻAiʻa (Wanamua) | 2.01±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 12.55±0.40 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
NĀ ʻAʻO ʻIsomeric
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
InChI Ki
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Nā inoa ʻē aʻe no kēia mea
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2 -a] pyrimidin-6-one (ACI);6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]
pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI);2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil;2,2′ -Anhydro-1- β -D-arabino-furanosyluracil;2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil;2,2′ -Anhydrouridine;2,2′ -O-Cyclouridine;NSC 157148;O2,2′ -Anhydrouridine;O2,2′ -Cyclouridine;β -D-2′,2-O-Cycloarabinouridine
Loaʻa nā waiwai
Optical a Scattering
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Mana Rotatory Optical | -19 deg | Mea hoʻoheheʻe: Methanol;λ: 589.3 nm;Ka mahana: 26 °C | (1) CAS |
(1) Codington, John F.;Nūpepa o ka American Chemical Society, (1961), 83, 5030-1, CAplus
| Waiwai | Waiwai | Kūlana | Puna |
| Lae hehee | 250-253 °C | (1) CAS | |
| Lae hehee | 246 °C | Solvent: Ethanol;Isopropanol | (2) CAS |
| Lae hehee | 242-245 °C | (3) CAS | |
| Lae hehee | 242-243 °C | (4) CAS | |
| Lae hehee | 236-238 °C (decomp) | (5) CAS | |
| Lae hehee | 234 °C | (6) CAS | |
| Lae hehee | 234-235 °C | (7) CAS | |
| Lae hehee | 233-234 °C (decomp) | Mea hoʻoheheʻe: Methanol | (8) CAS |
| Lae hehee | E nana i ke kikokikona piha | (9) CAS |
(1) Lin, Kun-I.;Nūpepa o ka Hui Kimia Kina (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi;Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.;Nūpepa o Organic Chemistry, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji;Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena;Tetrahedron, (2003), 59(23), 4047-4057, CAplus
(7) Brown, DM;Nūpepa o ka Hui Kimia, (1958), 3035-8, CAplus
(8) Li, Heting;Nā Kūkākūkā Synthetic, (2006), 36(14), 1933-1940, CAplus
(9) Codington, John F.;Nūpepa o ka American Chemical Society, (1961), 83, 5030-1, CAplus
Loaʻa ka Spectra
1 H NMR
13 C NMR
IR
Loaʻa ka Spectra
Mass
Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Hoʻonohonoho pili
Māmā
| 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)
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 7.66 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 7.66 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 7.66 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 7.66 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 7.66 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 7.66 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 7.66 | pH 7;Mahana: 25 °C | (1) ACD |
| Koc | 7.66 | pH 8;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 7.66 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 7.64 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | -0.91 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | -0.906±0.555 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 4.7 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.7 g/L | Wai hoʻopaʻa ʻole pH 6.91;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 0.021 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 0.021 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | Wai hoʻopaʻa ʻole pH 6.91;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 226.19 | ||
| pKa | 12.55±0.40 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | -4.68±0.60 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
| ʻO ke kaomi mahu | 3.04 x 10-10 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)
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 2.01±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 112.3±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)
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 3 | (1) ACD | |
| H Ka poe e ae | 7 | (1) ACD | |
| H Kokua | 2 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 9 | (1) ACD | |
| logP | -0.906±0.555 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 226.19 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kumu Kūlana |
| Wahi Polar | 91.6 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)
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 456.3±55.0 °C | Paʻi: 760 Torr | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Enthalpy of Vaporization | 82.62±6.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 229.8±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
1 H NMR
13 C NMR
| Kumu Hōʻike Hazard Code | |
| H302 Poino ke aleia | Hoʻokaʻawale ʻia a me ka hoʻopaʻa inoa ʻana o ka European Chemical Agency (ECHA). Inventory - Hoʻolaha ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Hoʻokaʻawale a me ka Lepili ʻana - Hoʻolaha ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi loa |
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
