ChemSpider 2D Image | (4E)-7-[(1R,2S,3S,5S)-5-(4-Biphenylylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl]-4-heptenoic acid | C30H39NO4

(4E)-7-[(1R,2S,3S,5S)-5-(4-Biphenylylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl]-4-heptenoic acid

  • Molecular FormulaC30H39NO4
  • Average mass477.635 Da
  • Monoisotopic mass477.287903 Da
  • ChemSpider ID59008289
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4E)-7-[(1R,2S,3S,5S)-5-(4-Biphenylylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl]-4-heptenoic acid [ACD/IUPAC Name]
(4E)-7-[(1R,2S,3S,5S)-5-(4-Biphenylylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl]-4-heptensäure [German] [ACD/IUPAC Name]
4-Heptenoic acid, 7-[(1R,2S,3S,5S)-5-([1,1'-biphenyl]-4-ylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl]-, (4E)- [ACD/Index Name]
Acide (4E)-7-[(1R,2S,3S,5S)-5-(4-biphénylylméthoxy)-3-hydroxy-2-(1-pipéridinyl)cyclopentyl]-4-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.5±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 16.77
ACD/KOC (pH 5.5): 49.97
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 17.78
ACD/KOC (pH 7.4): 52.95
Polar Surface Area: 70 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 404.4±5.0 cm3

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