ChemSpider 2D Image | (5Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E)-3-oxo-5-phenyl-1-penten-1-yl)cyclopentyl)-N-ethyl-5-heptenamide | C25H35NO4

(5Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E)-3-oxo-5-phenyl-1-penten-1-yl)cyclopentyl)-N-ethyl-5-heptenamide

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID21467784

  • 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

(5Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E)-3-oxo-5-phenyl-1-penten-1-yl)cyclopentyl)-N-ethyl-5-heptenamide
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-5-heptenamide
(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]cyclopentyl}-N-ethyl-5-heptenamid [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]cyclopentyl}-N-ethyl-5-heptenamide [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-5-phényl-1-pentén-1-yl]cyclopentyl}-N-éthyl-5-hepténamide [French] [ACD/IUPAC Name]
1163135-96-3 [RN]
5-Heptenamide, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-, (5Z)- [ACD/Index Name]
(Z)-7-((1R,2R)-3,5-dihydroxy-2-((E)-3-oxo-5-phenylpent-1-en-1-yl)cyclopentyl)-N-ethylhept-5-enamide
(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((E)-3-oxo-5-phenylpent-1-en-1-yl)cyclopentyl)-N-ethylhept-5-enamide
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

P14259CVZG [DBID]
UNII:P14259CVZG [DBID]
UNII-P14259CVZG [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 626.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.5±3.0 kJ/mol
    Flash Point: 332.8±31.5 °C
    Index of Refraction: 1.584
    Molar Refractivity: 121.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 37.96
    ACD/KOC (pH 5.5): 470.02
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 37.96
    ACD/KOC (pH 7.4): 470.02
    Polar Surface Area: 87 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 362.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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