ChemSpider 2D Image | (3beta)-3-Hydroxy-N,N-dimethylchol-5-en-24-amide | C26H43NO2

(3β)-3-Hydroxy-N,N-dimethylchol-5-en-24-amide

  • Molecular FormulaC26H43NO2
  • Average mass401.625 Da
  • Monoisotopic mass401.329376 Da
  • ChemSpider ID24683323

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-Hydroxy-N,N-dimethylchol-5-en-24-amid [German] [ACD/IUPAC Name]
(3β)-3-Hydroxy-N,N-dimethylchol-5-en-24-amide [ACD/IUPAC Name]
(3β)-3-Hydroxy-N,N-diméthylchol-5-én-24-amide [French] [ACD/IUPAC Name]
Chol-5-en-24-amide, 3-hydroxy-N,N-dimethyl-, (3β)- [ACD/Index Name]
(3β)-3-Hydroxy-N,N-dimethyl-chol-5-en-24-amide
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylpentanamide
79066-03-8 [RN]
cholenic acid dimethylamide
DMHCA
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL352837/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.7±22.6 °C
Index of Refraction: 1.545
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6272.19
ACD/KOC (pH 5.5): 18187.97
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6272.19
ACD/KOC (pH 7.4): 18187.99
Polar Surface Area: 41 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 377.8±5.0 cm3

Click to predict properties on the Chemicalize site


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