(1S)-1,4-Anhydro-3,5-di-O-benzoyl-2-(benzoylamino)-2-deoxy-1-[3-(methoxycarbonyl)-1H-pyrazol-4-yl]-D-ribitol
[CAS# 640725-69-5]

Identification

• Name: (1S)-1,4-Anhydro-3,5-di-O-benzoyl-2-(benzoylamino)-2-deoxy-1-[3-(methoxycarbonyl)-1H-pyrazol-4-yl]-D-ribitol
• Synonyms: 2',3',5'-Tri-O-benzoyl-2'-C-methylcytidine
• Molecular Formula: C₃₁H₂₇N₃O₈
• Molecular Weight: 569.56
• CAS Registry Number: 640725-69-5
• SMILES: O=C(OC[C@H]3O[C@H]([C@H](NC(=O)c1ccccc1)[C@@H]3OC(=O)c2ccccc2)c4cnnc4C(=O)OC)c5ccccc5
• InChI: 1S/C31H27N3O8/c1-39-31(38)24-22(17-32-34-24)26-25(33-28(35)19-11-5-2-6-12-19)27(42-30(37)21-15-9-4-10-16-21)23(41-26)18-40-29(36)20-13-7-3-8-14-20/h2-17,23,25-27H,18H2,1H3,(H,32,34)(H,33,35)/t23-,25+,26+,27-/m1/s1
• InChIKey: ATLAWQZPWOKWAN-GYUKIKGESA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 805.035°C at 760 mmHg (Cal.)
• Flash point: 440.669°C (Cal.)
• Refractive index: 1.65 (Cal.)