ChemSpider 2D Image | (3alpha,5beta,12alpha)-3,12-Dihydroxy-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cholan-24-amide | C26H42N4O5S2

(3α,5β,12α)-3,12-Dihydroxy-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cholan-24-amide

  • Molecular FormulaC26H42N4O5S2
  • Average mass554.766 Da
  • Monoisotopic mass554.259644 Da
  • ChemSpider ID31106777

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5β,12α)-3,12-Dihydroxy-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cholan-24-amid [German] [ACD/IUPAC Name]
(3α,5β,12α)-3,12-Dihydroxy-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cholan-24-amide [ACD/IUPAC Name]
(3α,5β,12α)-3,12-Dihydroxy-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cholan-24-amide [French] [ACD/IUPAC Name]
Cholan-24-amide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-3,12-dihydroxy-, (3α,5β,12α)- [ACD/Index Name]
CHEMBL3137796

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: 1.596
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 503.20
ACD/KOC (pH 5.5): 2969.42
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 182.75
ACD/KOC (pH 7.4): 1078.40
Polar Surface Area: 192 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 419.1±3.0 cm3

Click to predict properties on the Chemicalize site


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