ChemSpider 2D Image | (3beta,5alpha,20S)-Pregnane-3,20-diyl disulfate | C21H34O8S2

(3β,5α,20S)-Pregnane-3,20-diyl disulfate

  • Molecular FormulaC21H34O8S2
  • Average mass478.621 Da
  • Monoisotopic mass478.170593 Da
  • ChemSpider ID58163614

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,20S)-Pregnan-3,20-diyldisulfat [German] [ACD/IUPAC Name]
(3β,5α,20S)-Pregnane-3,20-diyl disulfate [ACD/IUPAC Name]
Disulfate de (3β,5α,20S)-prégnane-3,20-diyle [French] [ACD/IUPAC Name]
Pregnane-3,20-diol, bis(hydrogen sulfate), ion(2-), (3β,5α,20S)- [ACD/Index Name]
(20S)-5α-pregnane-3β,20-diyl disulfate
5α-pregnane-3β,20α-diol disulfate(2-)
  • Miscellaneous

    • Chemical Class:

      A 5alpha-pregnane-3beta,20alpha-diol disulfate anion obtained by deprotonation of both sulfo groups of 5alpha-pregnane-3beta,20alpha-diol disulfate. ChEBI CHEBI:133121
      A 5alpha-pregnane-3beta,20alpha-diol disulfate anion obtained by deprotonation of both sulfo groups of 5alpha-pregnane-3beta; ,20alpha-diol disulfate. ChEBI CHEBI:133121

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability:
Surface Tension:
Molar Volume:

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