2-Amino-9-(2,3,5-Tri-O-Acetyl-beta-D-Ribofuranosyl)-6-Thiopurine
[CAS# 2946-36-3]

Identification

• Name: 2-Amino-9-(2,3,5-Tri-O-Acetyl-beta-D-Ribofuranosyl)-6-Thiopurine
• Synonyms: [4-Acetoxy-5-(Acetoxymethyl)-2-(2-Amino-6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Acetate; Acetic Acid [4-Acetoxy-5-(Acetoxymethyl)-2-(2-Amino-6-Thioxo-3H-Purin-9-Yl)-3-Tetrahydrofuranyl] Ester; Acetic Acid [4-Acetoxy-5-(Acetoxymethyl)-2-(2-Amino-6-Thioxo-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₆H₁₉N₅O₇S
• Molecular Weight: 425.42
• CAS Registry Number: 2946-36-3
• SMILES: C2=NC1=C(NC(=NC1=S)N)[N]2C3OC(COC(=O)C)C(OC(C)=O)C3OC(C)=O
• InChI: 1S/C16H19N5O7S/c1-6(22)25-4-9-11(26-7(2)23)12(27-8(3)24)15(28-9)21-5-18-10-13(21)19-16(17)20-14(10)29/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,29)
• InChIKey: BZOOEMDKUJHUEP-UHFFFAOYSA-N

Properties

• Density: 1.701g/cm³ (Cal.)
• Boiling point: 656.612°C at 760 mmHg (Cal.)
• Flash point: 350.907°C (Cal.)