ChemSpider 2D Image | (3beta,16beta,25R)-3-Methoxycholest-5-ene-16,26-diol | C28H48O3

(3β,16β,25R)-3-Methoxycholest-5-ene-16,26-diol

  • Molecular FormulaC28H48O3
  • Average mass432.679 Da
  • Monoisotopic mass432.360352 Da
  • ChemSpider ID64860055

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,16β,25R)-3-Methoxycholest-5-en-16,26-diol [German] [ACD/IUPAC Name]
(3β,16β,25R)-3-Methoxycholest-5-ene-16,26-diol [ACD/IUPAC Name]
(3β,16β,25R)-3-Méthoxycholest-5-ène-16,26-diol [French] [ACD/IUPAC Name]
Cholest-5-ene-16,26-diol, 3-methoxy-, (3β,16β,25R)- [ACD/Index Name]
(3B,16B,25R)-16,26-DIHYDROXY-3-O-METHYLCHOLESTEROL
(3S,8S,9S,10R,13S,14S,16S,17R)-17-((2R,6R)-7-hydroxy-6-methylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
1208105-63-8 [RN]
MFCD28400866

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 535.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±6.0 kJ/mol
    Flash Point: 277.8±28.7 °C
    Index of Refraction: 1.534
    Molar Refractivity: 127.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 6.46
    ACD/LogD (pH 5.5): 6.26
    ACD/BCF (pH 5.5): 33775.97
    ACD/KOC (pH 5.5): 60696.15
    ACD/LogD (pH 7.4): 6.26
    ACD/BCF (pH 7.4): 33775.97
    ACD/KOC (pH 7.4): 60696.15
    Polar Surface Area: 50 Å2
    Polarizability: 50.7±0.5 10-24cm3
    Surface Tension: 42.1±5.0 dyne/cm
    Molar Volume: 411.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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