ChemSpider 2D Image | (3alpha,5beta)-20-Oxopregnan-3-yl hydrogen sulfate | C21H34O5S

(3α,5β)-20-Oxopregnan-3-yl hydrogen sulfate

  • Molecular FormulaC21H34O5S
  • Average mass398.557 Da
  • Monoisotopic mass398.212708 Da
  • ChemSpider ID25056126

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,5β)-20-Oxopregnan-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3α,5β)-20-Oxopregnan-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de (3α,5β)-20-oxoprégnan-3-yle [French] [ACD/IUPAC Name]
Pregnan-20-one, 3-(sulfooxy)-, (3α,5β)- [ACD/Index Name]
1477-67-4 [RN]
pregnanolone sulphate

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 322.6±5.0 cm3

Click to predict properties on the Chemicalize site


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