ChemSpider 2D Image | 20-Oxopregn-5-en-3-yl hydrogen sulfate | C21H32O5S

20-Oxopregn-5-en-3-yl hydrogen sulfate

  • Molecular FormulaC21H32O5S
  • Average mass396.541 Da
  • Monoisotopic mass396.197052 Da
  • ChemSpider ID17216005

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

20-Oxopregn-5-en-3-yl hydrogen sulfate [ACD/IUPAC Name]
20-Oxopregn-5-en-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-(sulfooxy)- [ACD/Index Name]
Pregnenolone 3-sulfate
Pregnenolone hydrogen sulfate
Pregnenolone monosulfate
[(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl]oxidanesulfonic acid
5-Pregnen-3b-sulphate-20-one
Pregn-5-en-20-one-3b-yl sulphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

    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: 1.567
    Molar Refractivity: 102.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.81
    ACD/LogD (pH 5.5): -0.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 50.9±5.0 dyne/cm
    Molar Volume: 315.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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