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Search term: MPTGUQKSZYVXOK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-Butyl-11-[(7alpha,17beta)-17-hydroxy-3-oxoandrostan-7-yl]-N-methylundecanamide | C35H61NO3

N-Butyl-11-[(7α,17β)-17-hydroxy-3-oxoandrostan-7-yl]-N-methylundecanamide

  • Molecular FormulaC35H61NO3
  • Average mass543.864 Da
  • Monoisotopic mass543.465149 Da
  • ChemSpider ID23282129

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

N-Butyl-11-[(7α,17β)-17-hydroxy-3-oxoandrostan-7-yl]-N-methylundecanamid [German] [ACD/IUPAC Name]
N-Butyl-11-[(7α,17β)-17-hydroxy-3-oxoandrostan-7-yl]-N-methylundecanamide [ACD/IUPAC Name]
N-Butyl-11-[(7α,17β)-17-hydroxy-3-oxoandrostan-7-yl]-N-méthylundécanamide [French] [ACD/IUPAC Name]
Undecanamide, N-butyl-11-[(7α,17β)-17-hydroxy-3-oxoandrostan-7-yl]-N-methyl- [ACD/Index Name]
CHEMBL375675
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL375675/
N-n-butyl-N-methyl-11-(17b-hydroxy-5a-androstan-3-one-7a-yl)undecanamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 645.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 344.2±30.1 °C
Index of Refraction: 1.509
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 304347.91
ACD/KOC (pH 5.5): 292799.22
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 304348.22
ACD/KOC (pH 7.4): 292799.53
Polar Surface Area: 58 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 540.7±3.0 cm3

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