ChemSpider 2D Image | sitosterol palmitate | C45H80O2

sitosterol palmitate

  • Molecular FormulaC45H80O2
  • Average mass653.115 Da
  • Monoisotopic mass652.615845 Da
  • ChemSpider ID8028281

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-stigmast-5-en-3-yl hexadecanoate
(3β)-Stigmast-5-en-3-yl palmitate [ACD/IUPAC Name]
(3β)-Stigmast-5-en-3-ylpalmitat [German] [ACD/IUPAC Name]
?-sitosteryl palmitate
2308-85-2 [RN]
Hexadecanoic acid, (3β)-stigmast-5-en-3-yl ester [ACD/Index Name]
Palmitate de (3β)-stigmast-5-én-3-yle [French] [ACD/IUPAC Name]
sitosterol palmitate
[2308-85-2] [RN]
16:0 Sitosterol ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LEB596GYDL [DBID]
UNII:LEB596GYDL [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 669.0±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.3±3.0 kJ/mol
    Flash Point: 358.8±13.2 °C
    Index of Refraction: 1.505
    Molar Refractivity: 203.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 22
    #Rule of 5 Violations: 2
    ACD/LogP: 19.02
    ACD/LogD (pH 5.5): 17.09
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 17.09
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 26 Å2
    Polarizability: 80.7±0.5 10-24cm3
    Surface Tension: 37.6±5.0 dyne/cm
    Molar Volume: 686.9±5.0 cm3

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