![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) Wêne ya Taybet](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)
Hejmara qeydê ya CAS
3736-77-4
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 226,19 | - |
| Xala Helînê (Ezmûnî) | 234-235 °C | - |
| Xala kelandinê (pêşbînîkirî) | 456,3±55,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 2,01±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 12,55±0,40 | Germahiya herî asîdî: 25 °C |
SMILES Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
SMILES Îzomerî
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 Key
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Navên din ên vê madeyê
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hîdroksî-2-(hîdroksîmetîl)-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)-, 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
Taybetmendiyên berdest
Optîk û Belavkirin
Termal
| Mal | Giranî | Rewş | Kanî |
| Hêza Rotatory Optîk | -19 derece | Solvent: Metanol; λ: 589,3 nm; Germ: 26 °C | (1) CAS |
(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
| Mal | Giranî | Rewş | Kanî |
| Melting Point | 250-253 °C | (1) CAS | |
| Melting Point | 246 °C | Solvent: Etanol; Isopropanol | (2) CAS |
| Melting Point | 242-245 °C | (3) CAS | |
| Melting Point | 242-243 °C | (4) CAS | |
| Melting Point | 236-238 °C (jihevdexistin) | (5) CAS | |
| Melting Point | 234 °C | (6) CAS | |
| Melting Point | 234-235 °C | (7) CAS | |
| Melting Point | 233-234 °C (jihevdexistin) | Solvent: Metanol | (8) CAS |
| Melting Point | Binêre Nivîsa Temam | (9) CAS |
(1) Lin, Kun-I.; Journal of the Chinese Chemical Society (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.; Journal of 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; Journal of the Chemical Society, (1958), 3035-8, CAplus
(8) Li, Heting; Têkiliyên Synthetic, (2006), 36 (14), 1933-1940, CAplus
(9) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
Spectra heye
1 H NMR
13 C NMR
IR
Spectra heye
Gel
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Density
Lipinski
Structure Related
Termal
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1.0 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Koc | 7.66 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 7.66 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 7.66 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 7.66 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 7.66 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 7.66 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 7.66 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 7.66 | pH 8; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 7.66 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 7.64 | pH 10; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 1; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 2; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 3; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 4; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 5; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 6; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 7; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 8; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 9; Germ: 25 °C | (1) ACD |
| logD | -0.91 | pH 10; Germ: 25 °C | (1) ACD |
| logP | -0,906±0,555 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 4,7 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 g/L | pH ava nebuffered 6,91; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 0,021 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 0,021 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,021 mol/L | pH ava nebuffered 6,91; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 226,19 | ||
| pKa | 12,55±0,40 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | -4,68±0,60 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 3,04 x 10-10 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Density | 2,01±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 112,3±7,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 3 | (1) ACD | |
| H Qebûrker | 7 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 9 | (1) ACD | |
| logP | -0,906±0,555 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 226,19 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya Rewşa |
| Qada Rûyê Polar | 91.6 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 456,3±55,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Entalpiya Vaporîzasyonê | 82,62±6,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 229,8±31,5 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1 H NMR
13 C NMR
| Çavkaniya Daxuyaniya Xetereya Kodê | |
| H302 Ger were daqurtandin zerar e | Dabeşkirin & Etîketkirin Ajansa Kîmyewî ya Ewropayê (ECHA). Envanter - Dabeşkirin û etîketkirina agahdarkirî - agahdariya herî gelemperî, Ajansa Kîmyewî ya Ewropî (ECHA) Dabeşkirin&Etîketkirin Envanter - Tesnîfkirin û etîketkirina agahdarkirî - agahdariya herî giran |
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