ChemSpider 2D Image | N-[(3alpha,5beta,7alpha,12alpha,14xi)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine | C26H43NO6

N-[(3α,5β,7α,12α,14ξ)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine

  • Molecular FormulaC26H43NO6
  • Average mass465.623 Da
  • Monoisotopic mass465.309052 Da
  • ChemSpider ID28537107

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

Glycine, N-[(3α,5β,7α,12α,14ξ)-3,7,12-trihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]
N-[(3α,5β,7α,12α,14ξ)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3α,5β,7α,12α,14ξ)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3α,5β,7α,12α,14ξ)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
[(4R)-4-[(1R,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
2-((4R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetic acid
2-[(4R)-4-[(1R,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
Glycine, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-
Glycocholic acid [Wiki]
MFCD00065902 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 692.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.9 mmHg at 25°C
    Enthalpy of Vaporization: 115.9±6.0 kJ/mol
    Flash Point: 372.3±31.5 °C
    Index of Refraction: 1.560
    Molar Refractivity: 124.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): -0.97
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 127 Å2
    Polarizability: 49.2±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 383.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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