ChemSpider 2D Image | (3alpha,5alpha,20R)-Pregnane-3,20-diyl bis(hydrogen sulfate) | C21H36O8S2

(3α,5α,20R)-Pregnane-3,20-diyl bis(hydrogen sulfate)

  • Molecular FormulaC21H36O8S2
  • Average mass480.636 Da
  • Monoisotopic mass480.185150 Da
  • ChemSpider ID128424222

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α,20R)-Pregnan-3,20-diylbis(hydrogensulfat) [German] [ACD/IUPAC Name]
(3α,5α,20R)-Pregnane-3,20-diyl bis(hydrogen sulfate) [ACD/IUPAC Name]
Bis(hydrogénosulfate) de (3α,5α,20R)-prégnane-3,20-diyle [French] [ACD/IUPAC Name]
Pregnane-3,20-diol, bis(hydrogen sulfate), (3α,5α,20R)- [ACD/Index Name]

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: 1.575
Molar Refractivity: 115.2±0.4 cm3
#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: 144 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement