Found 82 results

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

(3α,5β,7β,8ξ)-3,7-Dihydroxy-N-(3-methoxyphenyl)cholan-24-amide

  • Molecular FormulaC31H47NO4
  • Average mass497.709 Da
  • Monoisotopic mass497.350494 Da
  • ChemSpider ID29767522

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5β,7β,8ξ)-3,7-Dihydroxy-N-(3-methoxyphenyl)cholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7β,8ξ)-3,7-Dihydroxy-N-(3-methoxyphenyl)cholan-24-amide [ACD/IUPAC Name]
(3α,5β,7β,8ξ)-3,7-Dihydroxy-N-(3-méthoxyphényl)cholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3,7-dihydroxy-N-(3-methoxyphenyl)-, (3α,5β,7β,8ξ)- [ACD/Index Name]
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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-(3-methoxyphenyl)pentanamide
4-(3,7-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid (3-methoxy-phenyl)-amide

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 661.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.3±3.0 kJ/mol
    Flash Point: 353.9±27.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 144.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 6.20
    ACD/LogD (pH 5.5): 5.27
    ACD/BCF (pH 5.5): 5985.39
    ACD/KOC (pH 5.5): 17588.69
    ACD/LogD (pH 7.4): 5.27
    ACD/BCF (pH 7.4): 5985.42
    ACD/KOC (pH 7.4): 17588.79
    Polar Surface Area: 79 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 438.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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