ChemSpider 2D Image | (3beta)-28-Hydroxyolean-12-en-3-yl palmitate | C46H80O3

(3β)-28-Hydroxyolean-12-en-3-yl palmitate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID28424389

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-28-Hydroxyolean-12-en-3-yl palmitate [ACD/IUPAC Name]
(3β)-28-Hydroxyolean-12-en-3-ylpalmitat [German] [ACD/IUPAC Name]
19833-13-7 [RN]
Hexadecanoic acid, (3β)-28-hydroxyolean-12-en-3-yl ester [ACD/Index Name]
Olean-12-ene-3,28-diol, 3-hexadecanoate, (3β)-
Palmitate de (3β)-28-hydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
[19833-13-7] [RN]
Erythrodiol 3-palmitate
MFCD20260592

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 684.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 114.8±6.0 kJ/mol
    Flash Point: 231.7±24.3 °C
    Index of Refraction: 1.523
    Molar Refractivity: 207.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 2
    ACD/LogP: 17.51
    ACD/LogD (pH 5.5): 16.49
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 16.49
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 47 Å2
    Polarizability: 82.4±0.5 10-24cm3
    Surface Tension: 41.0±5.0 dyne/cm
    Molar Volume: 680.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement