Found 1 result

Search term: 5beta-scymnol sulfate (Found by approved synonym)

ChemSpider 2D Image | 5beta-Scymnol sulfate | C27H48O9S

5β-Scymnol sulfate

  • Molecular FormulaC27H48O9S
  • Average mass548.730 Da
  • Monoisotopic mass548.301880 Da
  • ChemSpider ID21865704
  • defined stereocentres - 11 of 13 defined stereocentres


More details:






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

(3α,5β,7α,9ξ,12α,24R)-3,7,12,24,26-Pentahydroxycholestan-27-yl hydrogen sulfate [ACD/IUPAC Name]
(3α,5β,7α,9ξ,12α,24R)-3,7,12,24,26-Pentahydroxycholestan-27-ylhydrogensulfat [German] [ACD/IUPAC Name]
5β-Scymnol sulfate
Cholestane-3,7,12,24,26,27-hexol, 26-(hydrogen sulfate), (3α,5β,7α,9ξ,12α,24R)- [ACD/Index Name]
Hydrogénosulfate de (3α,5β,7α,9ξ,12α,24R)-3,7,12,24,26-pentahydroxycholestan-27-yle [French] [ACD/IUPAC Name]
(24R)-3α,7α,12α,24,26-pentahydroxy-5β-cholestan-27-yl hydrogen sulfate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 420.4±3.0 cm3

Click to predict properties on the Chemicalize site






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