Found 13 results

Search term: MF = 'C_{24}H_{42}O_{6}S'
ChemSpider 2D Image | (3alpha,7alpha,8xi,9xi,14xi,17xi)-3,7-Dihydroxycholan-24-yl hydrogen sulfate | C24H42O6S

(3α,7α,8ξ,9ξ,14ξ,17ξ)-3,7-Dihydroxycholan-24-yl hydrogen sulfate

  • Molecular FormulaC24H42O6S
  • Average mass458.652 Da
  • Monoisotopic mass458.270203 Da
  • ChemSpider ID23252320

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(3α,7α,8ξ,9ξ,14ξ,17ξ)-3,7-Dihydroxycholan-24-yl hydrogen sulfate [ACD/IUPAC Name]
(3α,7α,8ξ,9ξ,14ξ,17ξ)-3,7-Dihydroxycholan-24-ylhydrogensulfat [German] [ACD/IUPAC Name]
Cholane-3,7,24-triol, 24-(hydrogen sulfate), (3α,7α,8ξ,9ξ,14ξ,17ξ)- [ACD/Index Name]
Hydrogénosulfate de (3α,7α,8ξ,9ξ,14ξ,17ξ)-3,7-dihydroxycholan-24-yle [French] [ACD/IUPAC Name]
CHEMBL189237
Sulfuric acid mono-[(R)-4-((3R,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentyl] ester

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 378.1±3.0 cm3

Click to predict properties on the Chemicalize site


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