ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxy-N-(3,4,5-trimethoxyphenyl)cholan-24-amide | C33H51NO7

(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-(3,4,5-trimethoxyphenyl)cholan-24-amide

  • Molecular FormulaC33H51NO7
  • Average mass573.760 Da
  • Monoisotopic mass573.366577 Da
  • ChemSpider ID29769044

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-(3,4,5-trimethoxyphenyl)cholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-(3,4,5-trimethoxyphenyl)cholan-24-amide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-(3,4,5-triméthoxyphényl)cholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3,7,12-trihydroxy-N-(3,4,5-trimethoxyphenyl)-, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(3,4,5-trimethoxyphenyl)pentanamide
756483-01-9 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 723.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.9±3.0 kJ/mol
    Flash Point: 391.3±32.9 °C
    Index of Refraction: 1.572
    Molar Refractivity: 158.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.03
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 233.50
    ACD/KOC (pH 5.5): 1725.15
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 233.51
    ACD/KOC (pH 7.4): 1725.18
    Polar Surface Area: 117 Å2
    Polarizability: 63.0±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 483.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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