Polydeoxyinosinic-polydeoxy-(5-methylcytidylic)acid
[CAS# 36534-96-0]

Identification

• Name: Polydeoxyinosinic-polydeoxy-(5-methylcytidylic)acid
• Synonyms: [(2R,3S,4R,5R)-5-(4-Amino-5-Methyl-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-Purin-9-Yl-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-5-Methyl-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9-Purinyl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-5-Methyl-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-Purin-9-Yl-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₂₀H₂₉N₇O₁₅P₂
• Molecular Weight: 669.43
• CAS Registry Number: 36534-96-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)O)[N]2C3=C(N=C2)C=NC=N3.[C@H]4(O[C@@H]([C@@H](O)[C@H]4O)CO[P](=O)(O)O)N5C(=O)N=C(N)C(=C5)C
• InChI: 1S/C10H13N4O7P.C10H16N3O8P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14;1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19);2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t6-,7-,8-,10-;5-,6-,7-,9-/m11/s1
• InChIKey: FBSIJADFVXOPRY-QSZDAZAZSA-N

Properties

• Boiling point: 666.5°C at 760 mmHg (Cal.)
• Flash point: 356.9°C (Cal.)