Triphosphoric Acid, Mono[[(1S,4R)-4-(2-Amino-3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-2-Cyclopenten-1-Yl]Methyl] Ester
[CAS# 121864-74-2]

Identification

• Name: Triphosphoric Acid, Mono[[(1S,4R)-4-(2-Amino-3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-2-Cyclopenten-1-Yl]Methyl] Ester
• Synonyms: (-)-carbovir 5'-triphosphate; (-)-carbovir 5'-triphosphate; (-)-carbovir triphosphate; (1S-cis)-triphosphoric acid, P-((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl) ester; carbovir 5'-triphosphate; (-)-Carbovir triphosphate
• Molecular Formula: C₁₁H₁₆N₅O₁₁P₃
• Molecular Weight: 487.19
• CAS Registry Number: 121864-74-2
• SMILES: C1[C@@H](C=C[C@@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
• InChI: 1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t6-,7+/m1/s1
• InChIKey: CQCAEOCIDCCJDQ-RQJHMYQMSA-N

Properties

• Density: 2.4±0.1g/cm³ (Cal.)
• Boiling point: 890.5±75.0°C at 760 mmHg (Cal.)
• Flash point: 492.3±37.1°C (Cal.)
• Refractive index: 1.859 (Cal.)