ChemSpider 2D Image | (5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoate | C20H31O4

(5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoate

  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID29368514

  • 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

(5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoat [German] [ACD/IUPAC Name]
(5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoate [ACD/IUPAC Name]
(5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-2-octén-1-yl]-2-oxiranyl}-5,8-décadiénoate [French] [ACD/IUPAC Name]
5,8-Decadienoic acid, 10-hydroxy-10-[(2S,3S)-3-[(2Z)-2-octen-1-yl]oxiranyl]-, ion(1-), (5Z,8Z,10R)- [ACD/Index Name]
(10R)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate
(10R)-hydroxy-(11S,12S)-epoxyeicosa-(5Z,8Z,14Z)-trienoate
(10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoate
(5Z,8Z,10R)-10-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoate
(5Z,8Z,10R,11S,12S,14Z)-10-hydroxy-11,12-epoxyeicosa-5,8,14-trienoate
  • Miscellaneous

    • Chemical Class:

      An epoxy(hydroxy)icosatrienoate that is the conjugate base of (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:75234
      An epoxy(hydroxy)icosatrienoate that is the conjugate base of (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z; )-trienoic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:75234

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

Density:
Boiling Point: 503.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 170.7±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 613.88
ACD/KOC (pH 5.5): 2013.13
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 9.79
ACD/KOC (pH 7.4): 32.11
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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