ChemSpider 2D Image | 5-[3-(3,4-Dihydroxy-2-methoxyphenyl)propanoyl]-2-hydroxyphenyl hydrogen sulfate | C16H16O9S

5-[3-(3,4-Dihydroxy-2-methoxyphenyl)propanoyl]-2-hydroxyphenyl hydrogen sulfate

  • Molecular FormulaC16H16O9S
  • Average mass384.358 Da
  • Monoisotopic mass384.051514 Da
  • ChemSpider ID74851851

More details:

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

1-Propanone, 3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(sulfooxy)phenyl]- [ACD/Index Name]
5-[3-(3,4-Dihydroxy-2-methoxyphenyl)propanoyl]-2-hydroxyphenyl hydrogen sulfate [ACD/IUPAC Name]
5-[3-(3,4-Dihydroxy-2-methoxyphenyl)propanoyl]-2-hydroxyphenylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-[3-(3,4-dihydroxy-2-méthoxyphényl)propanoyl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
{5-[3-(3,4-dihydroxy-2-methoxyphenyl)propanoyl]-2-hydroxyphenyl}oxidanesulfonic acid

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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

Click to predict properties on the Chemicalize site


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