ChemSpider 2D Image | DL-Glyceryl-1-butyrate-2,3-dipalmitate | C39H74O6

DL-Glyceryl-1-butyrate-2,3-dipalmitate

  • Molecular FormulaC39H74O6
  • Average mass639.001 Da
  • Monoisotopic mass638.548523 Da
  • ChemSpider ID73991608

More details:

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

26690-84-6 [RN]
3-(Butyryloxy)-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
3-(Butyryloxy)-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de 3-(butyryloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
DL-Glyceryl-1-butyrate-2,3-dipalmitate
Hexadecanoic acid, 1-[(1-oxobutoxy)methyl]-1,2-ethanediyl ester [ACD/Index Name]
1-(butanoyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
Hexadecanoic acid, 1,1′-[1-[(1-oxobutoxy)methyl]-1,2-ethanediyl] ester
MFCD00882271
TG(16:0/16:0/4:0)
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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: 643.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.9±3.0 kJ/mol
    Flash Point: 253.5±22.4 °C
    Index of Refraction: 1.463
    Molar Refractivity: 188.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 38
    #Rule of 5 Violations: 2
    ACD/LogP: 15.70
    ACD/LogD (pH 5.5): 14.89
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 14.89
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 79 Å2
    Polarizability: 74.5±0.5 10-24cm3
    Surface Tension: 34.5±3.0 dyne/cm
    Molar Volume: 683.1±3.0 cm3

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