P(1)-(1-Cyclohexylmethyl)-P(2)-(1-beta-Arabinofuranosylcytosin-5'-Yl)Pyrophosphate
[CAS# 93605-02-8]

Identification

• Name: P(1)-(1-Cyclohexylmethyl)-P(2)-(1-beta-Arabinofuranosylcytosin-5'-Yl)Pyrophosphate
• Synonyms: [[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Cyclohexylmethyl Hydrogen Phosphate; [[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl
• Molecular Formula: C₁₆H₂₇N₃O₁₁P₂
• Molecular Weight: 499.35
• CAS Registry Number: 93605-02-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](OCC2CCCCC2)(=O)O)(=O)O)N3C(=O)N=C(N)C=C3
• InChI: 1S/C16H27N3O11P2/c17-12-6-7-19(16(22)18-12)15-14(21)13(20)11(29-15)9-28-32(25,26)30-31(23,24)27-8-10-4-2-1-3-5-10/h6-7,10-11,13-15,20-21H,1-5,8-9H2,(H,23,24)(H,25,26)(H2,17,18,22)/t11-,13-,14+,15-/m1/s1
• InChIKey: AIXDZPFQYGJQRM-REBRKWNGSA-N

Properties

• Density: 1.888g/cm³ (Cal.)
• Boiling point: 735.064°C at 760 mmHg (Cal.)
• Flash point: 398.353°C (Cal.)