![C9H10N2O5 6H-FURO [2 ', 3': 4,2] Oxazolo [3,2-a] Pyrimidin-3-Hydroxy-2- (HYDROXY-2- (2r, 3 R, 3AS, 9AR) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-FURO [2 ', 3': 4,2] Oxazolo-6-ien, 2.3,3a, 9A-tetra-do-2- (hydroxymel) 3AS, 9AR) - (9CI, ACI) featured ôfbylding](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-FURO [2 ', 3': 4,2] Oxazolo [3,2-a] Pyrimidin-3-Hydroxy-2- (HYDROXY-2- (2r, 3 R, 3AS, 9AR) - (9CI, ACI)
CAS Registry Number
3736-77-4
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 226.19 | - |
| Melting Point (eksperiminteel) | 234-235 ° C | - |
| Siedend punt (foarsizze) | 456.3 ± 55,0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 2.01 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 12,55 ± 0,40 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
O = c1n = c2oc3c (o) c (oc3n2c = c1) co
Isomeryske glimkes
O [c @ h] 1 [c @] 2 ([c @] (n3c (o2) = nc (= o) c = c = c = c3) (o [c @@ h] 1CE) [H]) [H]
Inchi
Inchi = 1s / c9h10n2o5 / c12-3-4-6 (14) 7-3 (15-8 (15-8) 11-2-16 (11) 10-9 (11) 16-7 / h1-2,4,6,12,12,14h, 3H2 / T4-, 6-, 7 +, 8- / M1 / S1
Inchi-kaai
Uugitdaswnoagg-ccxzuqqusa-n
13 oare nammen foar dizze substansje
(2r, 3 r, 3AS, 9AR) -2,3,3a, 9A-tetrahyDro-3-hydroxy-2- (hydroxymel) -6h-furo [2 ', 3': 4 ', 3': 4 ', 3': 4 '] Oxazolo-Pyrimidin-6-One (aci); 6h-furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-ien, 2.3.3a, 9A-TetrahyDro-3-Hydroxy-2- (HydroxyThyl) - (6ci, 7CI); 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-ien, 2.3.3a, 9A-tetrahyDro-3-(Hydroxy-2- (2r- (2α, 3β, 3Aβ, 9Aβ)] - (ZCI); 6h-furo [2 ', 3': 4,5] Oxazolo [3,2-A]
Pyrimidin-6-ien, 2.3,3a, 9A-TetrahyDro-3-Hydroxy-2- (Hydroxymelet) -, Stereoisomer (8CI); 2,2 '-Anhydro (1- β-Arabinofuranosyl) Uracil; 2,2 '-anhydro-1- β -d-arabino-furanosyluracil; 2,2 '-anhydro-n1- (β -d-arabinofuranosyl) Uracil; 2,2 '-Anhyduridine; 2,2 '-o-Cyclouridine; NSC 157148; O2,2 '-anhyduridine; O2,2 '-cyclourdine; β -D-2 ', 2-O-CYCLOROBINOURIDINE
Eigenskippen beskikber
Optysk en fersprieding
Thermal
| Besit | Wearde | Betingst | Boarne |
| Optyske rottende krêft | -19 deg | Solvent: methanol; λ: 589.3 nm; Temp: 26 ° C | (1) CAS |
(1) Codington, John F .; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus
| Besit | Wearde | Betingst | Boarne |
| Melting Point | 250-D53 ° C | (1) CAS | |
| Melting Point | 246 ° C | Solvent: ethanol; Isopropanol | (2) CAS |
| Melting Point | 242-245 ° C | (3) CAS | |
| Melting Point | 242-243 ° C | (4) CAS | |
| Melting Point | 236-238 ° C (Decomp) | (5) CAS | |
| Melting Point | 23 ° C | (6) CAS | |
| Melting Point | 234-235 ° C | (7) CAS | |
| Melting Point | 233-234 ° C (Decomp) | Solvent: methanol | (8) CAS |
| Melting Point | Sjoch folsleine tekst | (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 Aciden, (2006), 25 (7), 719-734, Caplus
(3) Wnuk, Stanislaw F .; Journal of Organic Chemistry, (2002), 67 (6), 1816-1819, Caplus
(4) Szlenkier, Maurycy; Nucleosides, nukleotiden en nukleïske soeren, (2016), 35 (8), 410-425, Caplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, Caplus
(6) KRIZANIC, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, Caplus
(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, Caplus
(8) LI, Heting; Syntetyske kommunikaasje, (2006), 36 (14), 1933-1940, Caplus
(9) Codington, John F .; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus
Spectra te krijen
1 h nmr
13 C NMR
IR
Spectra te krijen
Mis
Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
Thermal
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 7.66 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 7.66 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7.66 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 7.66 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 7.66 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 7.66 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 7.66 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 7.66 | pH 8; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 7.66 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 7.64 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | -0.91 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | -0,906 ± 0.555 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 4,7 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 g / l | Unbuffered water Ph 6.91; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 0,021 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 0,021 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,021 mol / l | Unbuffered water Ph 6.91; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 226.19 | ||
| pka | 12,55 ± 0,40 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | -4.68 ± 0,60 | Meast basic temp: 25 ° C | (1) ACD |
| Dampdruk | 3.04 x 10-10 torr | Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Densheid | 2.01 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 112.3 ± 7,0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 3 | (1) ACD | |
| H akseptearders | 7 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / akseptearje SUM | 9 | (1) ACD | |
| Logp | -0,906 ± 0.555 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 226.19 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 91,6 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 456.3 ± 55,0 ° C | Parse: 760 Torr | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Enthalpy fan Vaporization | 82,62 ± 6,0 kj / mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 229.8 ± 31.5 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1 h nmr
13 C NMR
| Koade gefaarferklearring boarne | |
| H302 skealik as it swalke | European Chemical Agency (Echa) Klassifikaasje en etikettering Ynventarisaasje - notified Classification and label - Meast Common notifikaasjes, European Chemical Agency (Echa) Klassifikaasje- en etikettering ynventarisaasje - notified klassifikaasje en etikettering - meast serieuze notifikaasjes |
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