ChemSpider 2D Image | (2alpha,3beta,4alpha,22S,23S)-3-Hydroxy-4-(sulfooxy)-22,23-epoxycholest-7-en-2-yl acetate | C29H46O8S

(2α,3β,4α,22S,23S)-3-Hydroxy-4-(sulfooxy)-22,23-epoxycholest-7-en-2-yl acetate

  • Molecular FormulaC29H46O8S
  • Average mass554.736 Da
  • Monoisotopic mass554.291321 Da
  • ChemSpider ID8850042

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(2α,3β,4α,22S,23S)-3-Hydroxy-4-(sulfooxy)-22,23-epoxycholest-7-en-2-yl acetate [ACD/IUPAC Name]
(2α,3β,4α,22S,23S)-3-Hydroxy-4-(sulfooxy)-22,23-epoxycholest-7-en-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2α,3β,4α,22S,23S)-3-hydroxy-4-(sulfooxy)-22,23-époxycholest-7-én-2-yle [French] [ACD/IUPAC Name]
Cholest-7-ene-2,3,4-triol, 22,23-epoxy-, 2-acetate 4-(hydrogen sulfate), (2α,3β,4α,22S,23S)- [ACD/Index 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: 1.565
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 131 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 438.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement