[[(2R,3R,4R,5R)-5-(6-Amino-2-Chloro-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxyphosphonic Acid
[CAS# 16506-88-0]

Identification

• Name: [[(2R,3R,4R,5R)-5-(6-Amino-2-Chloro-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxyphosphonic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₄ClN₅O₁₀P₂
• Molecular Weight: 461.65
• CAS Registry Number: 16506-88-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](=O)(O)O)(=O)O)[N]2C3=C(N=C2)C(=NC(=N3)Cl)N
• InChI: 1S/C10H14ClN5O10P2/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
• InChIKey: POWNGKCXGCOKLX-UUOKFMHZSA-N

Properties

• Density: 2.56g/cm³ (Cal.)
• Boiling point: 801.828°C at 760 mmHg (Cal.)
• Flash point: 438.73°C (Cal.)