ChemSpider 2D Image | 4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S)-12-Hydroxy-1,3,5,8,10-tetradecapentaen-1-yl]-2-oxiranyl}butanoate | C20H27O4

4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S)-12-Hydroxy-1,3,5,8,10-tetradecapentaen-1-yl]-2-oxiranyl}butanoate

  • Molecular FormulaC20H27O4
  • Average mass331.427 Da
  • Monoisotopic mass331.191498 Da
  • ChemSpider ID76962823

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Oxiranebutanoic acid, 3-[(1E,3E,5Z,8Z,10E,12S)-12-hydroxy-1,3,5,8,10-tetradecapentaen-1-yl]-, ion(1-), (2S,3S)- [ACD/Index Name]
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S)-12-Hydroxy-1,3,5,8,10-tetradecapentaen-1-yl]-2-oxiranyl}butanoat [German] [ACD/IUPAC Name]
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S)-12-Hydroxy-1,3,5,8,10-tetradecapentaen-1-yl]-2-oxiranyl}butanoate [ACD/IUPAC Name]
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S)-12-Hydroxy-1,3,5,8,10-tétradécapentaén-1-yl]-2-oxiranyl}butanoate [French] [ACD/IUPAC Name]
(5S,6S)-epoxy-(18S)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate

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

Density:
Boiling Point: 537.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 186.8±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 16.25
ACD/KOC (pH 5.5): 150.81
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.41
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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