ChemSpider 2D Image | (3alpha,5beta,12alpha)-3,12-Dihydroxy-N-(1-isopropyl-1H-indol-4-yl)cholan-24-amide | C35H52N2O3

(3α,5β,12α)-3,12-Dihydroxy-N-(1-isopropyl-1H-indol-4-yl)cholan-24-amide

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID29768642

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5β,12α)-3,12-Dihydroxy-N-(1-isopropyl-1H-indol-4-yl)cholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,12α)-3,12-Dihydroxy-N-(1-isopropyl-1H-indol-4-yl)cholan-24-amide [ACD/IUPAC Name]
(3α,5β,12α)-3,12-Dihydroxy-N-(1-isopropyl-1H-indol-4-yl)cholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3,12-dihydroxy-N-[1-(1-methylethyl)-1H-indol-4-yl]-, (3α,5β,12α)- [ACD/Index Name]
(3a,5b,12a)-3,12-dihydroxy-N-(1-isopropyl-1H-indol-4-yl)cholan-24-amide
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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-(1-propan-2-ylindol-4-yl)pentanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 719.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.3±3.0 kJ/mol
    Flash Point: 388.9±30.1 °C
    Index of Refraction: 1.643
    Molar Refractivity: 158.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 7.23
    ACD/LogD (pH 5.5): 5.92
    ACD/BCF (pH 5.5): 18574.62
    ACD/KOC (pH 5.5): 39560.30
    ACD/LogD (pH 7.4): 5.92
    ACD/BCF (pH 7.4): 18577.60
    ACD/KOC (pH 7.4): 39566.64
    Polar Surface Area: 74 Å2
    Polarizability: 62.7±0.5 10-24cm3
    Surface Tension: 46.0±7.0 dyne/cm
    Molar Volume: 437.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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