[(2R,3S,4R,5R)-5-[6-Amino-2-(3-Aminopropylsulfanyl)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
[CAS# 110224-45-8]

Identification

• Name: [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Aminopropylsulfanyl)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Aminopropylsulfanyl)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Aminopropylthio)-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Aminopropylthio)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₃H₂₂N₆O₁₀P₂S
• Molecular Weight: 516.36
• CAS Registry Number: 110224-45-8
• SMILES: [C@@H]1(CO[P](O[P](=O)(O)O)(=O)O)[C@@H](O)[C@@H](O)[C@@H](O1)[N]2C=NC3=C2N=C(N=C3N)SCCCN
• InChI: 1S/C13H22N6O10P2S/c14-2-1-3-32-13-17-10(15)7-11(18-13)19(5-16-7)12-9(21)8(20)6(28-12)4-27-31(25,26)29-30(22,23)24/h5-6,8-9,12,20-21H,1-4,14H2,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1
• InChIKey: GESRDRIVMAOVGE-WOUKDFQISA-N

Properties

• Density: 2.241g/cm³ (Cal.)
• Boiling point: 948.776°C at 760 mmHg (Cal.)
• Flash point: 527.601°C (Cal.)