ChemSpider 2D Image | (2S)-1-(Dodecanoyloxy)-3-hydroxy-2-propanyl (9Z)-9-hexadecenoate | C31H58O5

(2S)-1-(Dodecanoyloxy)-3-hydroxy-2-propanyl (9Z)-9-hexadecenoate

  • Molecular FormulaC31H58O5
  • Average mass510.789 Da
  • Monoisotopic mass510.428436 Da
  • ChemSpider ID30779186

  • 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-(Dodecanoyloxy)-3-hydroxy-2-propanyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2S)-1-(Dodecanoyloxy)-3-hydroxy-2-propanyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2S)-1-(dodecanoyloxy)-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1S)-2-hydroxy-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2S)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (9Z)-hexadec-9-enoate
1-dodecanoyl-2-(9Z-hexadecenoyl)-sn-glycerol
1-dodecanoyl-2-palmitoleoyl-sn-glycerol
DAG(12:0/16:1)
DAG(12:0/16:1n7)
DAG(12:0/16:1w7)
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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: 0.9±0.1 g/cm3
Boiling Point: 583.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 170.2±15.3 °C
Index of Refraction: 1.472
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 11.70
ACD/LogD (pH 5.5): 11.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 538.7±3.0 cm3

Click to predict properties on the Chemicalize site


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