ChemSpider 2D Image | 2-(Heptadecanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propyl (9Z)-9-octadecenoate | C54H100O6

2-(Heptadecanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propyl (9Z)-9-octadecenoate

  • Molecular FormulaC54H100O6
  • Average mass845.368 Da
  • Monoisotopic mass844.752014 Da
  • ChemSpider ID7822980

  • 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

(9Z)-9-Octadécénoate de 2-(heptadecanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
2-(Heptadecanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2-(Heptadecanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[(1-oxoheptadecyl)oxy]-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
(2R)-2-(heptadecanoyloxy)-3-[(9Z)-hexadec-9-enoyloxy]propyl (9Z)-octadec-9-enoate
1-(9Z-hexadecenoyl)-2-heptadecanoyl-3-(9Z-octadecenoyl)-sn-glycerol
TG(16:1(9Z)/17:0/18:1(9Z))[iso6]
TG(16:1/17:0/18:1)[iso6]
TG(16:117:018:1)
TG(51:2)

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

LMGL03010062 [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: 793.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 296.3±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 257.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.64
ACD/LogD (pH 5.5): 20.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 918.0±3.0 cm3

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