[3,4-Diacetyloxy-5-(6-Sulfanylidene-3H-Purin-9-Yl)Oxolan-2-Yl]Methyl Acetate
[CAS# 7687-42-5]

Identification

• Name: [3,4-Diacetyloxy-5-(6-Sulfanylidene-3H-Purin-9-Yl)Oxolan-2-Yl]Methyl Acetate
• Synonyms: [4-Acetoxy-5-(Acetoxymethyl)-2-(6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Acetate; Acetic Acid [4-Acetoxy-5-(Acetoxymethyl)-2-(6-Thioxo-3H-Purin-9-Yl)-3-Tetrahydrofuranyl] Ester; Acetic Acid [4-Acetoxy-5-(Acetoxymethyl)-2-(6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₆H₁₈N₄O₇S
• Molecular Weight: 410.40
• CAS Registry Number: 7687-42-5 (4754-05-6;3021-21-4)
• SMILES: C2=NC1=C(NC=NC1=S)[N]2C3C(OC(=O)C)C(OC(C)=O)C(COC(=O)C)O3
• InChI: 1S/C16H18N4O7S/c1-7(21)24-4-10-12(25-8(2)22)13(26-9(3)23)16(27-10)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)
• InChIKey: MENHRYRSGYYUJA-UHFFFAOYSA-N

Properties

• Density: 1.62g/cm³ (Cal.)
• Boiling point: 622.277°C at 760 mmHg (Cal.)
• Flash point: 330.141°C (Cal.)