ChemSpider 2D Image | 6-O-{5-Hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid | C21H20O14S

6-O-{5-Hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid

  • Molecular FormulaC21H20O14S
  • Average mass528.440 Da
  • Monoisotopic mass528.057373 Da
  • ChemSpider ID26330623

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-O-{5-Hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid [ACD/IUPAC Name]
6-O-{5-Hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonsäure [German] [ACD/IUPAC Name]
Acide 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phényl]-4H-chromén-6-yl}-L-gulonique [French] [ACD/IUPAC Name]
L-Gulonic acid, 6-O-[5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-1-benzopyran-6-yl]- [ACD/Index Name]
PjCHO
PjCHO acid

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 104.3±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement