ChemSpider 2D Image | DG(16:0/22:1(13Z)/0:0) | C41H78O5

DG(16:0/22:1(13Z)/0:0)

  • Molecular FormulaC41H78O5
  • Average mass651.055 Da
  • Monoisotopic mass650.584900 Da
  • ChemSpider ID7822722

  • 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)-1-hydroxy-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1S)-2-hydroxy-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
DG(16:0/22:1(13Z)/0:0)
(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (13Z)-docos-13-enoate
1-hexadecanoyl-2-(13Z-docosenoyl)-sn-glycerol
1-Palmitoyl-2-erucoyl-sn-glycerol
DAG(16:0/22:1)
DAG(16:0/22:1n9)
More...

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

LMGL02010106 [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: 681.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.4±6.0 kJ/mol
Flash Point: 185.5±15.8 °C
Index of Refraction: 1.472
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 17.01
ACD/LogD (pH 5.5): 15.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 703.8±3.0 cm3

Click to predict properties on the Chemicalize site


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