ChemSpider 2D Image | (3beta,13xi)-17-Hydroxy-20-oxopregn-5-en-3-yl hydrogen sulfate | C21H32O6S

(3β,13ξ)-17-Hydroxy-20-oxopregn-5-en-3-yl hydrogen sulfate

  • Molecular FormulaC21H32O6S
  • Average mass412.540 Da
  • Monoisotopic mass412.191956 Da
  • ChemSpider ID58816884

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β,13ξ)-17-Hydroxy-20-oxopregn-5-en-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3β,13ξ)-17-Hydroxy-20-oxopregn-5-en-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de (3β,13ξ)-17-hydroxy-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 17-hydroxy-3-(sulfooxy)-, (3β,13ξ)- [ACD/Index Name]
2477-77-2 [RN]
PREGN-5-EN-20-ONE,17-HYDROXY-3-(SULFOOXY)-, (3B)-

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 104.5±0.4 cm3
#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: 109 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 312.3±5.0 cm3

Click to predict properties on the Chemicalize site


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