ChemSpider 2D Image | CHOLESTEROL-SULFATE | C27H46O4S

CHOLESTEROL-SULFATE

  • Molecular FormulaC27H46O4S
  • Average mass466.717 Da
  • Monoisotopic mass466.311676 Da
  • ChemSpider ID26329622

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,9β,10α)-Cholest-5-en-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3α,9β,10α)-Cholest-5-en-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Cholest-5-en-3-ol, hydrogen sulfate, (3α,9β,10α)- [ACD/Index Name]
CHOLESTEROL-SULFATE
Hydrogénosulfate de (3α,9β,10α)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
[(1R,2S,5R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl]oxidanesulfonic acid

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: 1.539
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 280.77
ACD/KOC (pH 5.5): 199.25
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 280.77
ACD/KOC (pH 7.4): 199.25
Polar Surface Area: 72 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

Click to predict properties on the Chemicalize site


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