[5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
[CAS# 27552-98-3]

Identification

• Name: [5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Synonyms: cytidylyl-(3'-->5')-cytidine; CYTIDYLYL-(3'5')-CYTIDINE
• Molecular Formula: C₁₈H₂₅N₆O₁₂P
• Molecular Weight: 548.40
• CAS Registry Number: 27552-98-3
• EINECS: 248-521-4
• SMILES: O=C1/N=C(/N)\C=C/N1C2OC(C(O)C2O)COP(=O)(O)OC4C(OC(N/3C(=O)/N=C(/N)\C=C\3)C4O)CO
• InChI: 1S/C18H25N6O12P/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-25)34-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H2,19,21,29)(H2,20,22,30)
• InChIKey: PTLMIIUMLITBQT-UHFFFAOYSA-N

Properties

• Density: 2.134g/cm³ (Cal.)
• Boiling point: 905.804°C at 760 mmHg (Cal.)
• Flash point: 501.612°C (Cal.)
• Refractive index: 1.825 (Cal.)