2',3',5'-Tri-O-Benzoylinosine
[CAS# 6741-88-4]

Identification

• Name: 2',3',5'-Tri-O-Benzoylinosine
• Synonyms: [4-(Benzoyloxy)-5-(Benzoyloxymethyl)-2-(6-Oxo-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Benzoate; Benzoic Acid [4-(Oxo-Phenylmethoxy)-5-[(Oxo-Phenylmethoxy)Methyl]-2-(6-Oxo-3H-Purin-9-Yl)-3-Tetrahydrofuranyl] Ester; Benzoic Acid [4-(Benzoyloxy)-5-(Benzoyloxymethyl)-2-(6-Keto-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₃₁H₂₄N₄O₈
• Molecular Weight: 580.55
• CAS Registry Number: 6741-88-4
• EINECS: 229-805-7
• SMILES: C6=C(C(OC1C(OC(C1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)[N]4C5=C(N=C4)C(=O)N=CN5)=O)C=CC=C6
• InChI: 1S/C31H24N4O8/c36-27-23-26(32-17-33-27)35(18-34-23)28-25(43-31(39)21-14-8-3-9-15-21)24(42-30(38)20-12-6-2-7-13-20)22(41-28)16-40-29(37)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,28H,16H2,(H,32,33,36)
• InChIKey: HYIROYSRWYWYBO-UHFFFAOYSA-N

Properties

• Desity: 1.453g/cm³ (Cal.)
• Boiling point: 808.582°C at 760 mmHg (Cal.)
• Flash point: 442.815°C (Cal.)