ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl hydrogen sulfate | C16H12O9S

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

  • Molecular FormulaC16H12O9S
  • Average mass380.326 Da
  • Monoisotopic mass380.020203 Da
  • ChemSpider ID30777651

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-(sulfooxy)- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl hydrogen sulfate [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-hydroxy-3-(4-hydroxyphényl)-6-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
[5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid
[5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxidanesulfonic acid
Tectorigenin 7-sulfate

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

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 81.7±3.0 dyne/cm
Molar Volume: 226.2±3.0 cm3

Click to predict properties on the Chemicalize site


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