ChemSpider 2D Image | (2S)-2-(Heptadecanoyloxy)-3-hydroxypropyl (11Z)-11-octadecenoate | C38H72O5

(2S)-2-(Heptadecanoyloxy)-3-hydroxypropyl (11Z)-11-octadecenoate

  • Molecular FormulaC38H72O5
  • Average mass608.975 Da
  • Monoisotopic mass608.537964 Da
  • ChemSpider ID59695813

  • 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

(11Z)-11-Octadécénoate de (2S)-2-(heptadecanoyloxy)-3-hydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2-(Heptadecanoyloxy)-3-hydroxypropyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2S)-2-(Heptadecanoyloxy)-3-hydroxypropyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (2S)-3-hydroxy-2-[(1-oxoheptadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
DG(18:1(11Z)/17:0/0:0)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 651.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 180.4±15.8 °C
Index of Refraction: 1.472
Molar Refractivity: 183.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.42
ACD/LogD (pH 5.5): 13.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 654.3±3.0 cm3

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