6-Chloro-9-(2,3,5-Tri-O-Acetylpentofuranosyl)-1,9-Dihydro-2H-Purin-2-One
[CAS# 161923-50-8]

Identification

• Name: 6-Chloro-9-(2,3,5-Tri-O-Acetylpentofuranosyl)-1,9-Dihydro-2H-Purin-2-One
• Synonyms: 6-CHLORO-2-HYDROXY-9-(2',3',5'-TRI-O-ACETYL-Î’-D-RIBOFURANOSYL)PURINE
• Molecular Formula: C₁₆H₁₇ClN₄O₈
• Molecular Weight: 428.78
• CAS Registry Number: 161923-50-8
• SMILES: Cl/C1=C2\N=C/N(C2=N\C(=O)N1)C3OC(C(OC(=O)C)C3OC(=O)C)COC(=O)C
• InChI: 1S/C16H17ClN4O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(17)19-16(25)20-14(10)21/h5,9,11-12,15H,4H2,1-3H3,(H,19,20,25)
• InChIKey: UDPLUTIBYLKPII-UHFFFAOYSA-N

Properties

• Density: 1.707g/cm³ (Cal.)
• Boiling point: 648.3°C at 760 mmHg (Cal.)
• Flash point: 345.9°C (Cal.)
• Refractive index: 1.678 (Cal.)