6-Mercaptopurine Ribonucleoside 5'-Diphosphate
[CAS# 805-63-0]

Identification

• Name: 6-Mercaptopurine Ribonucleoside 5'-Diphosphate
• Synonyms: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Thioxo-3H-Purin-9-Yl)-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; Inosine 5'-(Trihydrogen Diphosphate), 6-Thio-
• Molecular Formula: C₁₀H₁₄N₄O₁₀P₂S
• Molecular Weight: 444.25
• CAS Registry Number: 805-63-0
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=S)N=CN3)CO[P](O[P](O)(O)=O)(O)=O
• InChI: 1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
• InChIKey: MHJZYMCYLFGDRD-KQYNXXCUSA-N

Properties

• Density: 2.428g/cm³ (Cal.)
• Boiling point: 909.714°C at 760 mmHg (Cal.)
• Flash point: 503.977°C (Cal.)