ChemSpider 2D Image | 3'-METHYLEPICATECHIN-4'-SULFATE | C16H16O9S

3'-METHYLEPICATECHIN-4'-SULFATE

  • Molecular FormulaC16H16O9S
  • Average mass384.358 Da
  • Monoisotopic mass384.051514 Da
  • ChemSpider ID64880341

More details:

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

2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-[3-methoxy-4-(sulfooxy)phenyl]- [ACD/Index Name]
2-Methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl hydrogen sulfate [ACD/IUPAC Name]
2-Methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenylhydrogensulfat [German] [ACD/IUPAC Name]
3'-METHYLEPICATECHIN-4'-SULFATE
Hydrogénosulfate de 2-méthoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
[2-methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
1390702-41-6 [RN]

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

A77AGF90HJ [DBID]

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: 1.671
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 235.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement