ChemSpider 2D Image | (3beta)-28-Hydroxylup-20(29)-en-3-yl palmitate | C46H80O3

(3β)-28-Hydroxylup-20(29)-en-3-yl palmitate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID9268798

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-28-Hydroxylup-20(29)-en-3-yl palmitate [ACD/IUPAC Name]
(3β)-28-Hydroxylup-20(29)-en-3-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (3β)-28-hydroxylup-20(29)-en-3-yl ester [ACD/Index Name]
Palmitate de (3β)-28-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
582315-55-7 [RN]
Betulin palmitate
MFCD20260594

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 685.7±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.0±6.0 kJ/mol
    Flash Point: 232.3±16.8 °C
    Index of Refraction: 1.520
    Molar Refractivity: 207.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 2
    ACD/LogP: 17.35
    ACD/LogD (pH 5.5): 15.76
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 15.76
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 47 Å2
    Polarizability: 82.3±0.5 10-24cm3
    Surface Tension: 40.4±5.0 dyne/cm
    Molar Volume: 683.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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