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ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-N-(2-Furylmethyl)-3,7,12-trihydroxycholan-24-amide | C29H45NO5

(3α,5β,7α,8ξ,12α)-N-(2-Furylmethyl)-3,7,12-trihydroxycholan-24-amide

  • Molecular FormulaC29H45NO5
  • Average mass487.671 Da
  • Monoisotopic mass487.329773 Da
  • ChemSpider ID29768575
  • 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-(2-Furylmethyl)-3,7,12-trihydroxycholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-N-(2-Furylmethyl)-3,7,12-trihydroxycholan-24-amide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-N-(2-Furylméthyl)-3,7,12-trihydroxycholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, N-(2-furanylmethyl)-3,7,12-trihydroxy-, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
(4R)-N-(furan-2-ylmethyl)-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: 676.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.3±3.0 kJ/mol
    Flash Point: 362.9±31.5 °C
    Index of Refraction: 1.561
    Molar Refractivity: 134.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 55.63
    ACD/KOC (pH 5.5): 617.86
    ACD/LogD (pH 7.4): 2.60
    ACD/BCF (pH 7.4): 55.63
    ACD/KOC (pH 7.4): 617.86
    Polar Surface Area: 103 Å2
    Polarizability: 53.4±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 416.2±3.0 cm3

    Click to predict properties on the Chemicalize site






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