[(2S,5R)-5-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Tetrahydro-2-Furanyl]Methyl Acetate
[CAS# 130676-58-3]

Identification

• Name: [(2S,5R)-5-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Tetrahydro-2-Furanyl]Methyl Acetate
• Synonyms: 5'-O-Acetyl-2',3'-dideoxyinosine; ddI-5'-Ac
• Molecular Formula: C₁₂H₁₄N₄O₄
• Molecular Weight: 278.26
• CAS Registry Number: 130676-58-3
• SMILES: O=C3/N=C\Nc1c3ncn1[C@@H]2O[C@@H](CC2)COC(=O)C
• InChI: 1S/C12H14N4O4/c1-7(17)19-4-8-2-3-9(20-8)16-6-15-10-11(16)13-5-14-12(10)18/h5-6,8-9H,2-4H2,1H3,(H,13,14,18)/t8-,9+/m0/s1
• InChIKey: MVUMVNRFAFXMSZ-DTWKUNHWSA-N

Properties

• Density: 1.619g/cm³ (Cal.)
• Boiling point: 555.902°C at 760 mmHg (Cal.)
• Flash point: 289.999°C (Cal.)
• Refractive index: 1.716 (Cal.)