Found 82 results

Search term: MF = 'C_{31}H_{47}NO_{4}'
ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-N-Benzyl-3,7,12-trihydroxycholan-24-amide | C31H47NO4

(3α,5β,7α,8ξ,12α)-N-Benzyl-3,7,12-trihydroxycholan-24-amide

  • Molecular FormulaC31H47NO4
  • Average mass497.709 Da
  • Monoisotopic mass497.350494 Da
  • ChemSpider ID29768791

  • 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)-N-Benzyl-3,7,12-trihydroxycholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-N-Benzyl-3,7,12-trihydroxycholan-24-amide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-N-Benzyl-3,7,12-trihydroxycholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3,7,12-trihydroxy-N-(phenylmethyl)-, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
(4R)-N-benzyl-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
86678-86-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4471639/

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 690.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.3±3.0 kJ/mol
    Flash Point: 371.5±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 142.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 211.90
    ACD/KOC (pH 5.5): 1609.38
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 211.91
    ACD/KOC (pH 7.4): 1609.38
    Polar Surface Area: 90 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 433.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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