[(2R,3S,4R,5R)-5-[8-(6-Aminohexylamino)-6-Oxo-3H-Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 75204-34-1]

Identification

• Name: [(2R,3S,4R,5R)-5-[8-(6-Aminohexylamino)-6-Oxo-3H-Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[8-(6-Aminohexylamino)-6-Oxo-3H-Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[8-(6-Aminohexylamino)-6-Oxo-3H-Purin-9-Yl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[8-(6-Aminohexylamino)-6-Keto-3H-Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₆H₂₇N₆O₈P
• Molecular Weight: 462.40
• CAS Registry Number: 75204-34-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O)(O)=O)[N]2C3=C(N=C2NCCCCCCN)C(=O)N=CN3
• InChI: 1S/C16H27N6O8P/c17-5-3-1-2-4-6-18-16-21-10-13(19-8-20-14(10)25)22(16)15-12(24)11(23)9(30-15)7-29-31(26,27)28/h8-9,11-12,15,23-24H,1-7,17H2,(H,18,21)(H,19,20,25)(H2,26,27,28)/t9-,11-,12-,15-/m1/s1
• InChIKey: ABFPHWAZOCNUSM-SDBHATRESA-N

Properties

• Density: 1.865g/cm³ (Cal.)
• Boiling point: 826.904°C at 760 mmHg (Cal.)
• Flash point: 453.895°C (Cal.)