ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxy-N-(1H-indol-4-yl)cholan-24-amide | C32H46N2O4

(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-(1H-indol-4-yl)cholan-24-amide

  • Molecular FormulaC32H46N2O4
  • Average mass522.719 Da
  • Monoisotopic mass522.345764 Da
  • ChemSpider ID29769028

  • 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-(1H-indol-4-yl)cholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-(1H-indol-4-yl)cholan-24-amide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-(1H-indol-4-yl)cholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3,7,12-trihydroxy-N-1H-indol-4-yl-, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
(3a,5b,7a,12a)-3,7,12-trihydroxy-N-1H-indol-4-ylcholan-24-amide
(4R)-N-(1H-indol-4-yl)-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]pentanamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 751.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.9±3.0 kJ/mol
    Flash Point: 408.3±32.9 °C
    Index of Refraction: 1.632
    Molar Refractivity: 151.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 269.66
    ACD/KOC (pH 5.5): 1912.23
    ACD/LogD (pH 7.4): 3.50
    ACD/BCF (pH 7.4): 269.76
    ACD/KOC (pH 7.4): 1912.91
    Polar Surface Area: 106 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 423.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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