ChemSpider 2D Image | (3beta)-17-Hydroxy-20-oxopregn-5-en-3-yl sulfate | C21H31O6S

(3β)-17-Hydroxy-20-oxopregn-5-en-3-yl sulfate

  • Molecular FormulaC21H31O6S
  • Average mass411.533 Da
  • Monoisotopic mass411.184692 Da
  • ChemSpider ID58827264

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-17-Hydroxy-20-oxopregn-5-en-3-yl sulfate [ACD/IUPAC Name]
(3β)-17-Hydroxy-20-oxopregn-5-en-3-ylsulfat [German] [ACD/IUPAC Name]
Pregn-5-en-20-one, 17-hydroxy-3-(sulfooxy)-, ion(1-), (3β)- [ACD/Index Name]
Sulfate de (3β)-17-hydroxy-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
17-hydroxy-20-oxopregn-5-en-3β-yl sulfate
17-hydroxypregnenolone 3-sulfate(1-)
17-hydroxypregnenolone sulfate(1-)
17-hydroxy-pregnenolone sulfate(1-)
17α-Hydroxypregnenolone 3-sulfate
17α-hydroxypregnenolone sulfate(1-)
  • Miscellaneous

    • Chemical Class:

      A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17alpha-hydroxypregnenolone 3-sulfate. ChEBI CHEBI:133742
      A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17-hydroxypregnenolone 3-sulfate. ChEBI CHEBI:133742

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement