ChemSpider 2D Image | MFCD00673528 | C53H100O6

MFCD00673528

  • Molecular FormulaC53H100O6
  • Average mass833.357 Da
  • Monoisotopic mass832.752014 Da
  • ChemSpider ID9483859

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Octadécénoate de 1,3-bis(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-bis(hexadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1,3-Bis(palmitoyloxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1,3-Bis(palmitoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
1,3-Dihexadecanoyl-2-(cis-9-octadecenoyl)glycerol
1,3-DIPALMITO-2-OLEIN
1,3-Dipalmitoyl-2-oleoyl Glycerol
1,3-Dipalmitoyl-2-oleoylglycerol
2190-25-2 [RN]
9-Octadecenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
More...

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

1H3NGP56NB [DBID]
D2157_SIGMA [DBID]
UNII:1H3NGP56NB [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: 782.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 292.9±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 252.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.62
ACD/LogD (pH 5.5): 21.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 907.8±3.0 cm3

Click to predict properties on the Chemicalize site


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