ChemSpider 2D Image | (11beta,13xi)-11-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate | C21H28O8S

(11β,13ξ)-11-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate

  • Molecular FormulaC21H28O8S
  • Average mass440.507 Da
  • Monoisotopic mass440.150482 Da
  • ChemSpider ID58817372
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(11β,13ξ)-11-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate [ACD/IUPAC Name]
(11β,13ξ)-11-Hydroxy-3,18,20-trioxopregn-4-en-21-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de (11β,13ξ)-11-hydroxy-3,18,20-trioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-en-18-al, 11-hydroxy-3,20-dioxo-21-(sulfooxy)-, (11β,13ξ)- [ACD/Index Name]
52036-29-0 [RN]
aldosterone 21-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: 1.601
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 306.3±5.0 cm3

Click to predict properties on the Chemicalize site






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