ChemSpider 2D Image | (3alpha,5beta,7beta)-N-Cyclopropyl-3,7-dihydroxycholan-24-amide | C27H45NO3

(3α,5β,7β)-N-Cyclopropyl-3,7-dihydroxycholan-24-amide

  • Molecular FormulaC27H45NO3
  • Average mass431.651 Da
  • Monoisotopic mass431.339935 Da
  • ChemSpider ID26389784

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5β,7β)-N-Cyclopropyl-3,7-dihydroxycholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7β)-N-Cyclopropyl-3,7-dihydroxycholan-24-amide [ACD/IUPAC Name]
(3α,5β,7β)-N-Cyclopropyl-3,7-dihydroxycholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, N-cyclopropyl-3,7-dihydroxy-, (3α,5β,7β)- [ACD/Index Name]
(4R)-N-cyclopropyl-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]pentanamide
1260542-89-9 [RN]
4-(3,7-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid cyclopropylamide

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 604.2±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 103.1±6.0 kJ/mol
    Flash Point: 319.2±26.8 °C
    Index of Refraction: 1.559
    Molar Refractivity: 123.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.26
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 551.31
    ACD/KOC (pH 5.5): 3190.77
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 551.31
    ACD/KOC (pH 7.4): 3190.77
    Polar Surface Area: 70 Å2
    Polarizability: 49.0±0.5 10-24cm3
    Surface Tension: 48.0±5.0 dyne/cm
    Molar Volume: 382.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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