ChemSpider 2D Image | (3beta,13xi)-Stigmast-5-en-3-yl hydrogen sulfate | C29H50O4S

(3β,13ξ)-Stigmast-5-en-3-yl hydrogen sulfate

  • Molecular FormulaC29H50O4S
  • Average mass494.770 Da
  • Monoisotopic mass494.342987 Da
  • ChemSpider ID58816885

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,13ξ)-Stigmast-5-en-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3β,13ξ)-Stigmast-5-en-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de (3β,13ξ)-stigmast-5-én-3-yle [French] [ACD/IUPAC Name]
Stigmast-5-en-3-ol, hydrogen sulfate, (3β,13ξ)- [ACD/Index Name]
24815-93-8 [RN]
β-sitosterol 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: 1.535
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 11.02
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 1055.19
ACD/KOC (pH 5.5): 514.00
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 1055.19
ACD/KOC (pH 7.4): 514.00
Polar Surface Area: 72 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 449.2±5.0 cm3

Click to predict properties on the Chemicalize site


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