ChemSpider 2D Image | 4'-METHYLEPICATECHIN-5-SULFATE | C16H16O9S

4'-METHYLEPICATECHIN-5-SULFATE

  • Molecular FormulaC16H16O9S
  • Average mass384.358 Da
  • Monoisotopic mass384.051514 Da
  • ChemSpider ID32698518

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl hydrogen sulfate [ACD/IUPAC Name]
(2R,3R)-3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-ylhydrogensulfat [German] [ACD/IUPAC Name]
1383626-03-6 [RN]
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, 5-(hydrogen sulfate), (2R,3R)- [ACD/Index Name]
4'-METHYLEPICATECHIN-5-SULFATE
Hydrogénosulfate de (2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-méthoxyphényl)-3,4-dihydro-2H-chromén-5-yle [French] [ACD/IUPAC Name]

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

89YZ6O411E [DBID]
UNII:89YZ6O411E [DBID]
UNII-89YZ6O411E [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: 0.66
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
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