ChemSpider 2D Image | (2S)-1-(Heptadecanoyloxy)-3-hydroxy-2-propanyl (9Z,12Z)-9,12-heptadecadienoate | C37H68O5

(2S)-1-(Heptadecanoyloxy)-3-hydroxy-2-propanyl (9Z,12Z)-9,12-heptadecadienoate

  • Molecular FormulaC37H68O5
  • Average mass592.933 Da
  • Monoisotopic mass592.506653 Da
  • ChemSpider ID7822640

  • 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

(2S)-1-(Heptadecanoyloxy)-3-hydroxy-2-propanyl (9Z,12Z)-9,12-heptadecadienoate [ACD/IUPAC Name]
(2S)-1-(Heptadecanoyloxy)-3-hydroxy-2-propanyl-(9Z,12Z)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Heptadécadiénoate de (2S)-1-(heptadecanoyloxy)-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, (1S)-2-hydroxy-1-[[(1-oxoheptadecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
1-heptadecanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol
DG(17:0/17:2(9Z,12Z)/0:0)[iso2]
DG(17:0/17:2/0:0)[iso2]
DG(17:0_17:2)
DG(34:2)

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

LMGL02010022 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 649.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 182.8±19.4 °C
Index of Refraction: 1.478
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.37
ACD/LogD (pH 5.5): 12.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 631.4±3.0 cm3

Click to predict properties on the Chemicalize site


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