Found 79 results

Search term: MF = 'C_{32}H_{49}NO_{4}'
ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-N-Benzyl-3,7,12-trihydroxy-N-methylcholan-24-amide | C32H49NO4

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

  • Molecular FormulaC32H49NO4
  • Average mass511.736 Da
  • Monoisotopic mass511.366150 Da
  • ChemSpider ID29768651

  • 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-trihydroxy-N-methylcholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-N-Benzyl-3,7,12-trihydroxy-N-methylcholan-24-amide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-N-Benzyl-3,7,12-trihydroxy-N-méthylcholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3,7,12-trihydroxy-N-methyl-N-(phenylmethyl)-, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
(4R)-N-benzyl-N-methyl-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
144938-32-9 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 664.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.7±3.0 kJ/mol
    Flash Point: 355.6±31.5 °C
    Index of Refraction: 1.570
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.93
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 407.40
    ACD/KOC (pH 5.5): 2569.55
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 407.40
    ACD/KOC (pH 7.4): 2569.55
    Polar Surface Area: 81 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 48.7±3.0 dyne/cm
    Molar Volume: 448.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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