5-Azacytidine 5'-triphosphate
[CAS# 2226-74-6]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Cytosine
• Name: 5-Azacytidine 5'-triphosphate
• Synonyms: [[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Amino] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Amino] (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [[(2S,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Amino] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₈H₁₅N₄O₁₄P₃
• Molecular Weight: 484.15
• CAS Registry Number: 2226-74-6
• SMILES: [C@@H]1(NO[P](=O)(O)O[P](=O)(O)O[P](=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O1)N2C(=O)N=C(N)C=C2
• InChI: 1S/C8H15N4O14P3/c9-3-1-2-12(8(15)10-3)7-5(14)4(13)6(23-7)11-24-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4-7,11,13-14H,(H,19,20)(H,21,22)(H2,9,10,15)(H2,16,17,18)/t4-,5+,6-,7+/m0/s1
• InChIKey: ISWUHFDEXOSOCJ-BNHYGAARSA-N

Properties

• Density: 2.669g/cm³ (Cal.)
• Boiling point: 860.747°C at 760 mmHg (Cal.)
• Flash point: 474.363°C (Cal.)