9-{5-O-[(4-Methylphenyl)Sulfonyl]Pentofuranosyl}-9H-Purin-6-Amine
[CAS# 6698-29-9]

Identification

• Name: 9-{5-O-[(4-Methylphenyl)Sulfonyl]Pentofuranosyl}-9H-Purin-6-Amine
• Synonyms: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
• Molecular Formula: C₁₇H₁₉N₅O₆S
• Molecular Weight: 421.43
• CAS Registry Number: 6698-29-9
• SMILES: O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)c4ccc(cc4)C
• InChI: 1S/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)
• InChIKey: CAXLRAROZXYOHH-UHFFFAOYSA-N

Properties

• Density: 1.751g/cm³ (Cal.)
• Boiling point: 760.123°C at 760 mmHg (Cal.)
• Flash point: 413.508°C (Cal.)