1-O-[(3R,5R)-7-{2-(4-Fluorophenyl)-4-[(Z)-hydroxy(phenylimino)methyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoyl]-β-D-glucopyranuronic acid
[CAS# 463962-58-5]

Identification

• Name: 1-O-[(3R,5R)-7-{2-(4-Fluorophenyl)-4-[(Z)-hydroxy(phenylimino)methyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoyl]-β-D-glucopyranuronic acid
• Synonyms: (3R,6R)-6-[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• Molecular Formula: C₃₉H₄₃FN₂O₁₁
• Molecular Weight: 734.76
• CAS Registry Number: 463962-58-5
• SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O[C@@H]2C(C([C@H](C(O2)C(=O)O)O)O)O)O)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.635, Calc.^*
• Boiling Point: 958.1±75.0 °C (760 mmHg), Calc.^*
• Flash Point: 533.2±37.1 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H315-H319-H335
• Safety Statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501