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Search term: 24844160 (Found by CSID)
ChemSpider 2D Image | 5-Hydroxy-6-methoxy-2-[3-methoxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromen-7-yl hydrogen sulfate | C17H14O13S2

5-Hydroxy-6-methoxy-2-[3-methoxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromen-7-yl hydrogen sulfate

  • Molecular FormulaC17H14O13S2
  • Average mass490.415 Da
  • Monoisotopic mass489.987579 Da
  • ChemSpider ID24844160

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-2-[3-methoxy-4-(sulfooxy)phenyl]-7-(sulfooxy)- [ACD/Index Name]
5-Hydroxy-6-methoxy-2-[3-methoxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromen-7-yl hydrogen sulfate [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-2-[3-methoxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromen-7-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-hydroxy-6-méthoxy-2-[3-méthoxy-4-(sulfooxy)phényl]-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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: 1.666
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -6.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 83.1±3.0 dyne/cm
Molar Volume: 277.8±3.0 cm3

Click to predict properties on the Chemicalize site


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