ChemSpider 2D Image | 16alpha-hydroxydehydroepiandrosterone 3-sulfate | C19H28O6S

16α-hydroxydehydroepiandrosterone 3-sulfate

  • Molecular FormulaC19H28O6S
  • Average mass384.487 Da
  • Monoisotopic mass384.160645 Da
  • ChemSpider ID24850136
  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,16α)-16-Hydroxy-17-oxoandrost-5-en-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3β,16α)-16-Hydroxy-17-oxoandrost-5-en-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
16α-hydroxydehydroepiandrosterone 3-sulfate
Androst-5-en-17-one, 16-hydroxy-3-(sulfooxy)-, (3β,16α)- [ACD/Index Name]
Hydrogénosulfate de (3β,16α)-16-hydroxy-17-oxoandrost-5-én-3-yle [French] [ACD/IUPAC Name]
(3??)-16??-hydroxy-17-oxoandrost-5-en-3-yl sulfate
(3??)-16??-hydroxy-17-oxoandrost-5-en-3-yl sulfuric acid
(3??)-16??-hydroxy-17-oxoandrost-5-en-3-yl sulphate
(3??)-16??-hydroxy-17-oxoandrost-5-en-3-yl sulphuric acid
(3??,16??)-16-hydroxy-17-oxoandrost-5-en-3-yl sulfate
  • Miscellaneous
    • Chemical Class:

      An androstanoid that is dehydroepiandrosterone 3-sulfate substituted by a hydroxy group at the 16<stereo>alpha</stereo>-position. ChEBI CHEBI:87774

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

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