ChemSpider 2D Image | (2beta,3alpha,5alpha,17beta)-2-(Dinonylamino)androstane-3,17-diol | C37H69NO2

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

  • Molecular FormulaC37H69NO2
  • Average mass559.949 Da
  • Monoisotopic mass559.532837 Da
  • ChemSpider ID24711945

  • 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-(Dinonylamino)androstan-3,17-diol [German] [ACD/IUPAC Name]
(2β,3α,5α,17β)-2-(Dinonylamino)androstane-3,17-diol [ACD/IUPAC Name]
(2β,3α,5α,17β)-2-(Dinonylamino)androstane-3,17-diol [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2-(dinonylamino)-, (2β,3α,5α,17β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503105/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 636.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 271.0±28.8 °C
Index of Refraction: 1.523
Molar Refractivity: 172.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 12.04
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 299847.59
ACD/KOC (pH 5.5): 39557.64
ACD/LogD (pH 7.4): 9.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 420927.22
Polar Surface Area: 44 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 562.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement