ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxy-N'-[(E)-2-pyridinylmethylene]cholane-24-hydrazide | C30H45N3O4

(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N'-[(E)-2-pyridinylmethylene]cholane-24-hydrazide

  • Molecular FormulaC30H45N3O4
  • Average mass511.696 Da
  • Monoisotopic mass511.341003 Da
  • ChemSpider ID24750055

  • Double-bond stereo - Double-bond stereo

    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'-[(E)-2-pyridinylmethylen]cholan-24-hydrazid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N'-[(E)-2-pyridinylmethylene]cholane-24-hydrazide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-N'-[(E)-2-pyridinylméthylène]cholane-24-hydrazide [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7,12-trihydroxy-, 2-[(1E)-2-pyridinylmethylene]hydrazide, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
(3α,5β,7α,12α)-3,7,12-Trihydroxy-N-[(1E)-pyridin-2-ylmethylene]cholan-24-ohydralphazide

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: 1.657
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.57
ACD/KOC (pH 5.5): 903.24
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.61
ACD/KOC (pH 7.4): 903.61
Polar Surface Area: 115 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 383.7±7.0 cm3

Click to predict properties on the Chemicalize site


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