ChemSpider 2D Image | (3beta)-Cholesta-6,8-dien-3-yl hydrogen sulfate | C27H44O4S

(3β)-Cholesta-6,8-dien-3-yl hydrogen sulfate

  • Molecular FormulaC27H44O4S
  • Average mass464.701 Da
  • Monoisotopic mass464.296021 Da
  • ChemSpider ID61715618

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3α,5β,14β,17α)-Cholesta-6,8-dien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3α,5β,14β,17α)-Cholesta-6,8-dien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
(3β)-Cholesta-6,8-dien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3β)-Cholesta-6,8-dien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Cholesta-6,8-dien-3-ol, hydrogen sulfate, (3α,5β,14β,17α)- [ACD/Index Name]
Cholesta-6,8-dien-3-ol, hydrogen sulfate, (3β)- [ACD/Index Name]
Hydrogénosulfate de (3α,5β,14β,17α)-cholesta-6,8-dién-3-yle [French] [ACD/IUPAC Name]
Hydrogénosulfate de (3β)-cholesta-6,8-dién-3-yle [French] [ACD/IUPAC Name]
C3S
Cholest-5-en-3-yl hydrogen sulfate [ACD/IUPAC Name]

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: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 244.68
ACD/KOC (pH 5.5): 180.56
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 244.68
ACD/KOC (pH 7.4): 180.56
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


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