ChemSpider 2D Image | (2beta,3alpha,5alpha,17beta)-2-(Heptylamino)androstane-3,17-diol | C26H47NO2

(2β,3α,5α,17β)-2-(Heptylamino)androstane-3,17-diol

  • Molecular FormulaC26H47NO2
  • Average mass405.657 Da
  • Monoisotopic mass405.360687 Da
  • ChemSpider ID24707418

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,3α,5α,17β)-2-(Heptylamino)androstan-3,17-diol [German] [ACD/IUPAC Name]
(2β,3α,5α,17β)-2-(Heptylamino)androstane-3,17-diol [ACD/IUPAC Name]
(2β,3α,5α,17β)-2-(Heptylamino)androstane-3,17-diol [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2-(heptylamino)-, (2β,3α,5α,17β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494388/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 523.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 44.3±19.3 °C
Index of Refraction: 1.537
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 32.67
ACD/KOC (pH 5.5): 55.66
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 56.48
ACD/KOC (pH 7.4): 96.23
Polar Surface Area: 52 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

Click to predict properties on the Chemicalize site


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