5-Azacytidine 5'-monophosphate
[CAS# 2226-72-4]

Identification

• Name: 5-Azacytidine 5'-monophosphate
• Synonyms: [[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Amino] Dihydrogen Phosphate; [[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Amino] Dihydrogen Phosphate; [[(2S,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Amino] Dihydrogen Phosphate
• Molecular Formula: C₈H₁₃N₄O₈P
• Molecular Weight: 324.19
• CAS Registry Number: 2226-72-4
• SMILES: [C@H]1(O[C@H](NO[P](=O)(O)O)[C@@H](O)[C@H]1O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C8H13N4O8P/c9-3-1-2-12(8(15)10-3)7-5(14)4(13)6(19-7)11-20-21(16,17)18/h1-2,4-7,11,13-14H,(H2,9,10,15)(H2,16,17,18)/t4-,5+,6-,7+/m0/s1
• InChIKey: BQAIGNPMSFSACN-BNHYGAARSA-N

Properties

• Density: 2.339g/cm³ (Cal.)
• Boiling point: 691.454°C at 760 mmHg (Cal.)
• Flash point: 371.978°C (Cal.)