ChemSpider 2D Image | (3beta,5alpha,20R)-3-Hydroxypregnan-20-yl hydrogen sulfate | C21H36O5S

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

  • Molecular FormulaC21H36O5S
  • Average mass400.573 Da
  • Monoisotopic mass400.228333 Da
  • ChemSpider ID128424221

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,20R)-3-Hydroxypregnan-20-yl hydrogen sulfate [ACD/IUPAC Name]
(3β,5α,20R)-3-Hydroxypregnan-20-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de (3β,5α,20R)-3-hydroxyprégnan-20-yle [French] [ACD/IUPAC Name]
Pregnane-3,20-diol, 20-(hydrogen sulfate), (3β,5α,20R)- [ACD/Index Name]

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: 1.543
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 331.6±3.0 cm3

Click to predict properties on the Chemicalize site


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