ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 1-{5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-8-carboxylat e | C43H32O19

2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 1-{5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-8-carboxylat e

  • Molecular FormulaC43H32O19
  • Average mass852.703 Da
  • Monoisotopic mass852.153809 Da
  • ChemSpider ID35013538

More details:

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

1-{5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromén-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulène-8-carboxylate de 2-(3,4-dihydroxyphényl)-6,7-dihydroxy-3,4-dihydro-2H-chromén- 3-yle [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 1-{5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-8-carboxylat e [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl-1-{5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-carboxylat [German] [ACD/IUPAC Name]
5H-Benzocycloheptene-8-carboxylic acid, 1-[3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-6,7-dihydroxy-2 H-1-benzopyran-3-yl ester [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2,8-trihydroxy-9-oxobenzo[7]annulene-6-carboxylate
Theaflavate A

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1306.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 205.5±3.0 kJ/mol
Flash Point: 398.5±27.8 °C
Index of Refraction: 1.892
Molar Refractivity: 204.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 222.05
ACD/KOC (pH 5.5): 1556.50
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 6.05
ACD/KOC (pH 7.4): 42.38
Polar Surface Area: 331 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 156.6±5.0 dyne/cm
Molar Volume: 442.4±5.0 cm3

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