ChemSpider 2D Image | (3beta,5alpha,17alpha)-17-Hydroxy-19-norpregn-20-yn-3-yl hydrogen sulfate | C20H30O5S

(3β,5α,17α)-17-Hydroxy-19-norpregn-20-yn-3-yl hydrogen sulfate

  • Molecular FormulaC20H30O5S
  • Average mass382.514 Da
  • Monoisotopic mass382.181396 Da
  • ChemSpider ID58953090

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,17α)-17-Hydroxy-19-norpregn-20-in-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
(3β,5α,17α)-17-Hydroxy-19-norpregn-20-yn-3-yl hydrogen sulfate [ACD/IUPAC Name]
Estrane-3,17-diol, 17-ethynyl-, 3-(hydrogen sulfate), (3β,5α,17β)- [ACD/Index Name]
Hydrogénosulfate de (3β,5α,17α)-17-hydroxy-19-norprégn-20-yn-3-yle [French] [ACD/IUPAC Name]

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: 1.585
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 291.8±5.0 cm3

Click to predict properties on the Chemicalize site


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