P(1)-(1-Hexadecyl)-P(2)-(1-beta-Arabinofuranosylcytosin-5'-Yl)Pyrophosphate
[CAS# 93605-01-7]

Identification

• Name: P(1)-(1-Hexadecyl)-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]Methyl (Hexadecoxy-Hydroxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hexadecoxy-Hydroxyphospho
• Molecular Formula: C₂₅H₄₇N₃O₁₁P₂
• Molecular Weight: 627.61
• CAS Registry Number: 93605-01-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](OCCCCCCCCCCCCCCCC)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C25H47N3O11P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36-40(32,33)39-41(34,35)37-19-20-22(29)23(30)24(38-20)28-17-16-21(26)27-25(28)31/h16-17,20,22-24,29-30H,2-15,18-19H2,1H3,(H,32,33)(H,34,35)(H2,26,27,31)/t20-,22-,23+,24-/m1/s1
• InChIKey: WFBXNSKPUCPBRG-CAUSLRQDSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 766.545°C at 760 mmHg (Cal.)
• Flash point: 417.392°C (Cal.)