ChemSpider 2D Image | (3R,5R)-7-{3-[(4-Carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-isopropyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid | C33H35F2N3O7S

(3R,5R)-7-{3-[(4-Carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-isopropyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC33H35F2N3O7S
  • Average mass655.709 Da
  • Monoisotopic mass655.216370 Da
  • ChemSpider ID9767453

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3r,5r)-7-{3-[(4-Carbamoylphenyl)sulfamoyl]-4,5-Bis(4-Fluorophenyl)-2-(1-Methylethyl)-1h-Pyrrol-1-Yl}-3,5-Dihydroxyheptanoic Acid
(3R,5R)-7-{3-[(4-Carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-isopropyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-{3-[(4-Carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorphenyl)-2-isopropyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-heptanoic acid, 3-[[[4-(aminocarbonyl)phenyl]amino]sulfonyl]-4,5-bis(4-fluorophenyl)-β,δ-dihydroxy-2-(1-methylethyl)-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-{3-[(4-carbamoylphényl)sulfamoyl]-4,5-bis(4-fluorophényl)-2-isopropyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
9HI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 864.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 476.8±37.1 °C
Index of Refraction: 1.625
Molar Refractivity: 166.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 8.54
ACD/KOC (pH 5.5): 67.21
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 471.6±7.0 cm3

Click to predict properties on the Chemicalize site


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