ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (13Z)-13-docosenoate | C25H48O4

(2S)-2,3-Dihydroxypropyl (13Z)-13-docosenoate

  • Molecular FormulaC25H48O4
  • Average mass412.646 Da
  • Monoisotopic mass412.355255 Da
  • ChemSpider ID24765800

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(13Z)-13-Docosénoate de (2S)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (2S)-2,3-dihydroxypropyl ester, (13Z)- [ACD/Index Name]
(2S)-2,3-dihydroxypropyl (13Z)-docos-13-enoate
1-(13Z-Docosenoyl)-rac-glycerol
1-Erucoyl-glycerol
1-Monoacylglyceride
1-Monoacylglycerol
a-Monoacylglycerol
More...

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 525.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 161.9±18.1 °C
Index of Refraction: 1.478
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 729209.94
ACD/KOC (pH 5.5): 547267.56
ACD/LogD (pH 7.4): 8.02
ACD/BCF (pH 7.4): 729209.13
ACD/KOC (pH 7.4): 547266.94
Polar Surface Area: 67 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

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