[5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl 3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate
[CAS# 6815-91-4]

Identification

• Name: [5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl 3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate
• Molecular Formula: C₁₆H₂₅N₅O₁₆P₂
• Molecular Weight: 605.34
• CAS Registry Number: 6815-91-4
• SMILES: O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3NC(=N/C(=O)c3nc2)\N)C(O)C4O
• InChI: 1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)
• InChIKey: MVMSCBBUIHUTGJ-UHFFFAOYSA-N

Properties

• Density: 2.516g/cm³ (Cal.)
• Boiling point: 1062.922°C at 760 mmHg (Cal.)
• Flash point: 596.634°C (Cal.)