5'-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}cytidine
[CAS# 87980-19-6]

Identification

• Name: 5'-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}cytidine
• Synonyms: Cytidine 5'-(pentahydrogen tetraphosphate); Cytidine 5'-tetraphosphate
• Molecular Formula: C₉H₁₇N₃O₁₇P₄
• Molecular Weight: 563.14
• CAS Registry Number: 87980-19-6
• SMILES: O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N/1C(=O)/N=C(/N)\C=C\1)[C@H](O)[C@@H]2O
• InChI: 1S/C9H17N3O17P4/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(26-8)3-25-31(19,20)28-33(23,24)29-32(21,22)27-30(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
• InChIKey: ZBQGNTDXMLQDQJ-XVFCMESISA-N

Properties

• Density: 2.63g/cm³ (Cal.)
• Boiling point: 925.023°C at 760 mmHg (Cal.)
• Flash point: 513.235°C (Cal.)