ChemSpider 2D Image | 5-{3-[(6-Deoxy-alpha-L-erythro-hexopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenyl hydrogen sulfate | C21H20O14S

5-{3-[(6-Deoxy-α-L-erythro-hexopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenyl hydrogen sulfate

  • Molecular FormulaC21H20O14S
  • Average mass528.440 Da
  • Monoisotopic mass528.057373 Da
  • ChemSpider ID24844999

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-erythro-hexopyranosyl)oxy]-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]- [ACD/Index Name]
5-{3-[(6-Deoxy-α-L-erythro-hexopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenyl hydrogen sulfate [ACD/IUPAC Name]
5-{3-[(6-Desoxy-α-L-erythro-hexopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-{3-[(6-désoxy-α-L-érythro-hexopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-chromén-2-yl}-2-hydroxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.778
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -4.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 128.7±5.0 dyne/cm
Molar Volume: 274.8±5.0 cm3

Click to predict properties on the Chemicalize site


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