ChemSpider 2D Image | (3R,5S,6E)-7-[4'-Fluoro-5-(3-phenyl-3-pentanyl)-2-biphenylyl]-3,5-dihydroxy-6-heptenoate | C30H32FO4

(3R,5S,6E)-7-[4'-Fluoro-5-(3-phenyl-3-pentanyl)-2-biphenylyl]-3,5-dihydroxy-6-heptenoate

  • Molecular FormulaC30H32FO4
  • Average mass475.572 Da
  • Monoisotopic mass475.229004 Da
  • ChemSpider ID34896579

  • 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-[4'-Fluor-5-(3-phenyl-3-pentanyl)-2-biphenylyl]-3,5-dihydroxy-6-heptenoat [German] [ACD/IUPAC Name]
(3R,5S,6E)-7-[4'-Fluoro-5-(3-phenyl-3-pentanyl)-2-biphenylyl]-3,5-dihydroxy-6-heptenoate [ACD/IUPAC Name]
(3R,5S,6E)-7-[4'-Fluoro-5-(3-phényl-3-pentanyl)-2-biphénylyl]-3,5-dihydroxy-6-hepténoate [French] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[5-(1-ethyl-1-phenylpropyl)-4'-fluoro[1,1'-biphenyl]-2-yl]-3,5-dihydroxy-, ion(1-), (3R,5S,6E)- [ACD/Index Name]
(3R,5S,6E)-7-[2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl]-3,5-dihydroxyhept-6-enoate
compound 25d [PMID: 19502059]

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

Density:
Boiling Point: 695.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 301.99
ACD/KOC (pH 5.5): 857.05
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 14.65
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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