ChemSpider 2D Image | 3-(Heptadecanoyloxy)-1,2-propanediyl diicosanoate | C60H116O6

3-(Heptadecanoyloxy)-1,2-propanediyl diicosanoate

  • Molecular FormulaC60H116O6
  • Average mass933.559 Da
  • Monoisotopic mass932.877197 Da
  • ChemSpider ID7823337

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(Heptadecanoyloxy)-1,2-propandiyl-diicosanoat [German] [ACD/IUPAC Name]
3-(Heptadecanoyloxy)-1,2-propanediyl diicosanoate [ACD/IUPAC Name]
Diicosanoate de 3-(heptadecanoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 1-[[(1-oxoheptadecyl)oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2R)-1-(heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl icosanoate
1-heptadecanoyl-2,3-dieicosanoyl-sn-glycerol
TG(17:0/20:0/20:0)[iso3]
TG(17:020:020:0)
TG(20:0/20:0/17:0)
TG(57:0)

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

LMGL03010424 [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: 838.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 305.4±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 285.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 2
ACD/LogP: 26.86
ACD/LogD (pH 5.5): 25.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 113.1±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 1029.8±3.0 cm3

Click to predict properties on the Chemicalize site


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