ChemSpider 2D Image | (11S,12R)-EET | C20H32O3

(11S,12R)-EET

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID23208913
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(11S,12R)-EET
(5Z,8Z)-10-{(2S,3R)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid [ACD/IUPAC Name]
(5Z,8Z)-10-{(2S,3R)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadiensäure [German] [ACD/IUPAC Name]
(5Z,8Z)-10-{(2S,3R)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid
(5Z,8Z,14Z)-cis-11,12-epoxy-5,8,14-eicosatrienoic acid
(±)11(12)-EET
(±)11(12)-EET MaxSpec® Standard
123931-40-8 [RN]
5,8-Decadienoic acid, 10-[(2S,3R)-3-[(2Z)-2-octen-1-yl]oxiranyl]-, (5Z,8Z)- [ACD/Index Name]
Acide (5Z,8Z)-10-{(2S,3R)-3-[(2Z)-2-octén-1-yl]-2-oxiranyl}-5,8-décadiénoïque [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1573AA7EF0 [DBID]
UNII:1573AA7EF0 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 461.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 154.6±18.9 °C
Index of Refraction: 1.501
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 2091.77
ACD/KOC (pH 5.5): 4850.19
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 33.39
ACD/KOC (pH 7.4): 77.41
Polar Surface Area: 50 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

Click to predict properties on the Chemicalize site






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