ChemSpider 2D Image | (3beta,20R)-20-[(3-Methylbutyl)amino]pregn-5-en-3-ol | C26H45NO

(3β,20R)-20-[(3-Methylbutyl)amino]pregn-5-en-3-ol

  • Molecular FormulaC26H45NO
  • Average mass387.642 Da
  • Monoisotopic mass387.350128 Da
  • ChemSpider ID64863060

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,20R)-20-[(3-Methylbutyl)amino]pregn-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,20R)-20-[(3-Methylbutyl)amino]pregn-5-en-3-ol [ACD/IUPAC Name]
(3β,20R)-20-[(3-Méthylbutyl)amino]prégn-5-én-3-ol [French] [ACD/IUPAC Name]
Pregn-5-en-3-ol, 20-[(3-methylbutyl)amino]-, (3β,20R)- [ACD/Index Name]
22-NHC (inactive isomer)
360068-87-7 [RN]
40521-33-3 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 488.0±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 86.9±6.0 kJ/mol
    Flash Point: 16.0±11.9 °C
    Index of Refraction: 1.534
    Molar Refractivity: 119.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 7.07
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 25.86
    ACD/KOC (pH 5.5): 47.09
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 45.05
    ACD/KOC (pH 7.4): 82.03
    Polar Surface Area: 32 Å2
    Polarizability: 47.2±0.5 10-24cm3
    Surface Tension: 39.8±5.0 dyne/cm
    Molar Volume: 382.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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