![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) Imaj prezante](https://www.csnvchem.com/uploads/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)
Nimewo Rejis CAS
3736-77-4
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 226.19 | - |
| Pwen fizyon (eksperimantal) | 234-235 °C | - |
| Pwen bouyi (Prevwa) | 456.3±55.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 2.01±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 12.55±0.40 | Tanperati ki pi asid: 25 °C |
SORI Kanonik
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Souri izomerik
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 kle
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Lòt Non pou sibstans sa a
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2 -a] pirimidin-6-yon (ACI);6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-yonn, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pirimidin-6-yon, 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]
pirimidin-6-yon, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoizomer (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
Pwopriyete ki disponib
Optik ak gaye
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Optik Rotatory pouvwa | -19 degre | Sòlvan: Methanol;λ: 589.3 nm;Tanperati: 26 °C | (1) CAS |
(1) Codington, John F.;Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 250-253 °C | (1) CAS | |
| Pwen k ap fonn | 246 °C | Sòlvan: Etanòl;Isopropanol | (2) CAS |
| Pwen k ap fonn | 242-245 °C | (3) CAS | |
| Pwen k ap fonn | 242-243 °C | (4) CAS | |
| Pwen k ap fonn | 236-238 °C (dekonpozisyon) | (5) CAS | |
| Pwen k ap fonn | 234 °C | (6) CAS | |
| Pwen k ap fonn | 234-235 °C | (7) CAS | |
| Pwen k ap fonn | 233-234 °C (dekonpozisyon) | Solvants: Methanol | (8) CAS |
| Pwen k ap fonn | Gade Tèks konplè | (9) CAS |
(1) Lin, Kun-I.;Journal of Chinese Chemical Society (Taipei, Taiwan), (2007), 54 (2), 563-568, CAplus
(2) Takatsuki, Ken-ichi;Nukleozid, Nukleotid & Asid Nukleik, (2006), 25 (7), 719-734, CAplus
(3) Wnuk, Stanislaw F.;Journal of Organic Chemistry, (2002), 67 (6), 1816-1819, CAplus
(4) Szlenkier, Maurycy;Nukleozid, Nukleotid ak Asid Nukleik, (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;Journal of the Chemical Society, (1958), 3035-8, CAplus
(8) Li, Heting;Kominikasyon sentetik, (2006), 36 (14), 1933-1940, CAplus
(9) Codington, John F.;Journal of American Chemical Society, (1961), 83, 5030-1, CAplus
Spectre ki disponib
1H RMN
13C RMN
IR
Spectre ki disponib
Mass
Pwopriyete ki disponib
Byolojik
Chimik
Dansite
Lipinski
Estrikti ki gen rapò
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 1;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 2;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 3;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 4;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 7;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 7.66 | pH 1;Tanperati: 25 °C | (1) ACD |
| Koc | 7.66 | pH 2;Tanperati: 25 °C | (1) ACD |
| Koc | 7.66 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 7.66 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 7.66 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 7.66 | pH 6;Tanperati: 25 °C | (1) ACD |
| Koc | 7.66 | pH 7;Tanperati: 25 °C | (1) ACD |
| Koc | 7.66 | pH 8;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 7.66 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 7.64 | pH 10;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 3;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | -0.91 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | -0.906±0.555 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 4.7 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.7 g/L | Dlo san tampon pH 6.91;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 0.021 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 0.021 mol/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | Dlo san tampon pH 6.91;Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 226.19 | ||
| pKa | 12.55±0.40 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | -4.68±0.60 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
| Presyon vapè | 3.04 x 10-10 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 2.01±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 112.3±7.0 cm3/mol | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 3 | (1) ACD | |
| H Aseptè | 7 | (1) ACD | |
| H Donatè | 2 | (1) ACD | |
| H Sòm donatè/akseptè | 9 | (1) ACD | |
| logP | -0.906±0.555 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 226.19 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Zòn Sifas Polè | 91.6 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 456.3±55.0 °C | Press: 760 Torr | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Entalpi nan Vaporizasyon | 82.62±6.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 229.8±31.5 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
| Sous Deklarasyon Danje Kòd | |
| H302 Danjre si vale | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Etikèt Envantè - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè Etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi grav |
![C17H19N3O6 Timidin, α -oxo- α -[(phenylmethyl)amino]- (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine-300x300.png)
![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://www.csnvchem.com/uploads/C10H12N2O5-6H-Furo-300x300.jpg)
