ChemSpider 2D Image | (5Z,8R,9E)-8-Hydroxy-10-{(2R,3R)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,9-decadienoate | C20H31O4

(5Z,8R,9E)-8-Hydroxy-10-{(2R,3R)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,9-decadienoate

  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID29368512
  • 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,8R,9E)-8-Hydroxy-10-{(2R,3R)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,9-decadienoat [German] [ACD/IUPAC Name]
(5Z,8R,9E)-8-Hydroxy-10-{(2R,3R)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,9-decadienoate [ACD/IUPAC Name]
(5Z,8R,9E)-8-Hydroxy-10-{(2R,3R)-3-[(2Z)-2-octén-1-yl]-2-oxiranyl}-5,9-décadiénoate [French] [ACD/IUPAC Name]
5,9-Decadienoic acid, 8-hydroxy-10-[(2R,3R)-3-[(2Z)-2-octen-1-yl]oxiranyl]-, ion(1-), (5Z,8R,9E)- [ACD/Index Name]
(5Z,8R,9E)-8-hydroxy-10-{(2R,3R)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoate
(5Z,8R,9E,11R,12R,14Z)-8-hydroxy-11,12-epoxyeicosa-5,9,14-trienoate
(8R)-hydroxy-(11R,12R)-epoxyeicosa-(5Z,9E,14Z)-trienoate
(8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoate
8R-hydroxy-11R,12R-epoxyeicosa-5Z,9E,14Z-trienoate
  • Miscellaneous
    • Chemical Class:

      An epoxy(hydroxy)icosatrienoate that is the conjugate base of (8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14<stereo>Z<; /stereo>)-trienoic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:75232

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

Density:
Boiling Point: 483.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 162.4±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 61.93
ACD/KOC (pH 5.5): 389.76
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.22
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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