ChemSpider 2D Image | (1beta,3beta,5beta,11alpha,14beta,17beta)-17-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]androstane-1,3,5,11,14,19-hexol | C28H38FN3O6

(1β,3β,5β,11α,14β,17β)-17-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]androstane-1,3,5,11,14,19-hexol

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID76794952

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1β,3β,5β,11α,14β,17β)-17-[1-(4-Fluorbenzyl)-1H-1,2,3-triazol-4-yl]androstan-1,3,5,11,14,19-hexol [German] [ACD/IUPAC Name]
(1β,3β,5β,11α,14β,17β)-17-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]androstane-1,3,5,11,14,19-hexol [ACD/IUPAC Name]
(1β,3β,5β,11α,14β,17β)-17-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]androstane-1,3,5,11,14,19-hexol [French] [ACD/IUPAC Name]
Androstane-1,3,5,11,14,19-hexol, 17-[1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl]-, (1β,3β,5β,11α,14β,17β)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 772.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.0±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 133.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 37.04
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 37.04
Polar Surface Area: 152 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 339.0±7.0 cm3

Click to predict properties on the Chemicalize site


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