ChemSpider 2D Image | (5Z)-7-{(2S,3R)-3-[(2Z,5Z)-(7,7,8,8,9,9,10,10,11,11,11-~2~H_11_)-2,5-Undecadien-1-yl]-2-oxiranyl}-5-heptenoic acid | C20H21D11O3

(5Z)-7-{(2S,3R)-3-[(2Z,5Z)-(7,7,8,8,9,9,10,10,11,11,11-2H11)-2,5-Undecadien-1-yl]-2-oxiranyl}-5-heptenoic acid

  • Molecular FormulaC20H21D11O3
  • Average mass331.534 Da
  • Monoisotopic mass331.304199 Da
  • ChemSpider ID29341380

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z)-7-{(2S,3R)-3-[(2Z,5Z)-(7,7,8,8,9,9,10,10,11,11,11-2H11)-2,5-Undecadien-1-yl]-2-oxiranyl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(2S,3R)-3-[(2Z,5Z)-(7,7,8,8,9,9,10,10,11,11,11-2H11)-2,5-Undecadien-1-yl]-2-oxiranyl}-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(2S,3R)-3-[(2Z,5Z)-2,5-undecadien-1-yl-7,7,8,8,9,9,10,10,11,11,11-d11]oxiranyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(2S,3R)-3-[(2Z,5Z)-(7,7,8,8,9,9,10,10,11,11,11-2H11)-2,5-undécadién-1-yl]-2-oxiranyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(?)8(9)-EET-d11
(?)8(9)-epoxy-5Z,8Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20 acid
(±)8(9)-EET-d11
(±)8(9)-epoxy-5Z,8Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20 acid
(ñ)8(9)-epoxy-5Z,8Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20 acid
8(9)-EET-d11

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

Density: 1.0±0.1 g/cm3
Boiling Point: 456.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 152.2±15.3 °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): 2097.28
ACD/KOC (pH 5.5): 4862.98
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 33.48
ACD/KOC (pH 7.4): 77.64
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


Advertisement