ChemSpider 2D Image | (13xi)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl hydrogen sulfate | C21H28O8S

(13ξ)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl hydrogen sulfate

  • Molecular FormulaC21H28O8S
  • Average mass440.507 Da
  • Monoisotopic mass440.150482 Da
  • ChemSpider ID58818363
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(13ξ)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl hydrogen sulfate [ACD/IUPAC Name]
(13ξ)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de (13ξ)-17-hydroxy-3,11,20-trioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-(sulfooxy)-, (13ξ)- [ACD/Index Name]
912-25-4 [RN]
cortisone sulfate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 305.4±5.0 cm3

Click to predict properties on the Chemicalize site






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