Basic information
- CAS
2226-74-6- Standard SMILES
Nc1ccn([C@@H]2O[C@H](NOP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
KFILMUPGQGKFKE-KVTDHHQDSA-N- Molecular formula
- C8H15N4O14P3
- Average molar mass
- 484.14 g/mol
- Monoisotopic mass
- 483.97976216
Names & identifiers
- Preferred name
- 5'-Azacytidine 5'-triphosphate
- IUPAC
- [[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]amino] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
- English name
- [[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxola n-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphon ic acid
- Molecular formula
- C8H15N4O14P3
- Molecular weight
- 484.14
Names & synonyms
5'-Azacytidine 5'-triphosphate2226-74-6RefChem:100758[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]amino] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphateSCHEMBL1153021DB-225240[[[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxola n-2-yl]amino]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphon ic acid1,3,5-Triazin-2(1H)-one, 4-amino-1-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-ribofuranosyl)-Citicoline Impurity 155-Azacytidine Triphosphate5-Azacytidine 5'-triphosphateSodium phosphatidylcholine impurity 15
Show more names
5-Azacytidine 5'-Triphosphate DISCONTINUED5-Azacytidine 5'-Triphosphate Tetraoctylamine5-Azacytidine 5'-Triphosphate Tetraoctylamine4-AMino-1-β-D-ribofuranosyl-s-triazin-2(1H)-one 5'-Triphosphate4-AMino-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
Properties
Computed structural properties
- XLogP
- -8
- Topological polar surface area
- 280 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 856
Physicochemical properties
- Boiling point
- 841.197 · 841.197±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.669 · 2.669±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.973 · 0.973±0.50(predicted)
Chemistry & industry
Applications
UsesA metabolite of 5-Azacytidine.
Suppliers15 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
深圳瑞恺德生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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