ChemSpider 2D Image | (3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate | C24H25FNO4


  • Molecular FormulaC24H25FNO4
  • Average mass410.459 Da
  • Monoisotopic mass410.177307 Da
  • ChemSpider ID23103100
  • Charge - Charge

    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

(3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate [ACD/IUPAC Name]
(3R,5S,6E)-7-[3-(4-Fluorophényl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-6-hepténoate [French] [ACD/IUPAC Name]
(3R,5S,6E)-7-[3-(4-Fluorphenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, ion(1-), (3R,5S,6E)- [ACD/Index Name]
(E)-(3R,5S)-7-[3-(4-Fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid anion
  • Miscellaneous
    • Chemical Class:

      A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (3R,5S)-fluvastatin. ChEBI CHEBI:77600

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 681.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 15.62
ACD/KOC (pH 5.5): 103.10
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 86 Å2
Surface Tension:
Molar Volume:

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