ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxy-N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]cholan-24-amide | C32H45N3O4S

(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]cholan-24-amide

  • Molecular FormulaC32H45N3O4S
  • Average mass567.782 Da
  • Monoisotopic mass567.313049 Da
  • ChemSpider ID29768819

  • 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)-3,7,12-Trihydroxy-N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]cholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]cholan-24-amide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]cholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, 3,7,12-trihydroxy-N-[4-(2-pyridinyl)-2-thiazolyl]-, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
(3a,5b,7a,12a)-3,7,12-trihydroxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cholan-24-amide
(4R)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-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: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.616
    Molar Refractivity: 158.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 3.68
    ACD/BCF (pH 5.5): 367.63
    ACD/KOC (pH 5.5): 2387.27
    ACD/LogD (pH 7.4): 3.67
    ACD/BCF (pH 7.4): 364.42
    ACD/KOC (pH 7.4): 2366.40
    Polar Surface Area: 144 Å2
    Polarizability: 62.7±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 452.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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