ChemSpider 2D Image | (5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-~2~H_11_)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid | C20H21D11O4

(5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid

  • Molecular FormulaC20H21D11O4
  • Average mass347.534 Da
  • Monoisotopic mass347.299103 Da
  • ChemSpider ID107444165

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid [ACD/IUPAC Name]
(5Z,8Z,10R)-10-Hydroxy-10-{(2S,3S)-3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octen-1-yl]-2-oxiranyl}-5,8-decadiensäure [German] [ACD/IUPAC Name]
5,8-Decadienoic acid, 10-hydroxy-10-[(2S,3S)-3-[(2Z)-2-octen-1-yl-4,4,5,5,6,6,7,7,8,8,8-d11]oxiranyl]-, (5Z,8Z,10R)- [ACD/Index Name]
Acide (5Z,8Z,10R)-10-hydroxy-10-{(2S,3S)-3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octén-1-yl]-2-oxiranyl}-5,8-décadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
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: 1.519
Molar Refractivity: 97.5±0.3 cm3
#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: 70 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement