ChemSpider 2D Image | Methyl (3S,5R,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-isopropyl-1H-pyrrol-1-yl]-3,5-dihydroxy-6-heptenoate | C27H28BrF2NO4

Methyl (3S,5R,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-isopropyl-1H-pyrrol-1-yl]-3,5-dihydroxy-6-heptenoate

  • Molecular FormulaC27H28BrF2NO4
  • Average mass548.416 Da
  • Monoisotopic mass547.116943 Da
  • ChemSpider ID4944977

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5R,6E)-7-[3-Bromo-4,5-bis(4-fluorophényl)-2-isopropyl-1H-pyrrol-1-yl]-3,5-dihydroxy-6-hepténoate de méthyle [French] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl]-3,5-dihydroxy-, methyl ester, (3S,5R,6E)- [ACD/Index Name]
Methyl (3S,5R,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-isopropyl-1H-pyrrol-1-yl]-3,5-dihydroxy-6-heptenoate [ACD/IUPAC Name]
Methyl-(3S,5R,6E)-7-[3-brom-4,5-bis(4-fluorphenyl)-2-isopropyl-1H-pyrrol-1-yl]-3,5-dihydroxy-6-heptenoat [German] [ACD/IUPAC Name]
151106-12-6 [RN]
6- Heptenoic acid, 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-, methyl ester, (R*,S*-(E))-(±)-
7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester
7-(3-BROMO-4,5-BIS(4-FLUOROPHENYL)-2-(ISOPROPYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXY-6-HEPTENOIC ACID METHYL ESTER
7-Bbfp-mpdh methyl ester
Methyl (R*,S*-(E))-(±)-7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6- heptenoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.2±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3740.85
ACD/KOC (pH 5.5): 12563.95
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3740.83
ACD/KOC (pH 7.4): 12563.88
Polar Surface Area: 72 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 406.1±7.0 cm3

Click to predict properties on the Chemicalize site


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