ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl hydrogen sulfate | C16H12O10S

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl hydrogen sulfate

  • Molecular FormulaC16H12O10S
  • Average mass396.326 Da
  • Monoisotopic mass396.015106 Da
  • ChemSpider ID24845479

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-(sulfooxy)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl hydrogen sulfate [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5,7-dihydroxy-2-(4-hydroxyphényl)-6-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
6-Methoxykaempferol 3-O-sulfate

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: 1.764
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 114.1±5.0 dyne/cm
Molar Volume: 212.1±5.0 cm3

Click to predict properties on the Chemicalize site


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