ChemSpider 2D Image | (3beta,13xi)-Cholesta-5,24-dien-3-yl hydrogen sulfate | C27H44O4S

(3β,13ξ)-Cholesta-5,24-dien-3-yl hydrogen sulfate

  • Molecular FormulaC27H44O4S
  • Average mass464.701 Da
  • Monoisotopic mass464.296021 Da
  • ChemSpider ID58817430
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(3β,13ξ)-Cholesta-5,24-dien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3β,13ξ)-Cholesta-5,24-dien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Cholesta-5,24-dien-3-ol, hydrogen sulfate, (3β,13ξ)- [ACD/Index Name]
Hydrogénosulfate de (3β,13ξ)-cholesta-5,24-dién-3-yle [French] [ACD/IUPAC Name]
54378-86-8 [RN]
desmosterol sulfate

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.83
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 215.03
ACD/KOC (pH 5.5): 164.62
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 215.03
ACD/KOC (pH 7.4): 164.62
Polar Surface Area: 72 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 409.0±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement