ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulene-8-carboxylate | C36H28O15

2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulene-8-carboxylate

  • Molecular FormulaC36H28O15
  • Average mass700.599 Da
  • Monoisotopic mass700.142822 Da
  • ChemSpider ID35013527

More details:

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

2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulene-8-carboxylate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl-3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulen-8-carboxylat [German] [ACD/IUPAC Name]
3,4,6-Trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl)-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]
5H-Benzocycloheptene-8-carboxylic acid, 1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-6,7-dihydroxy-2H-1-benzopyran-3-yl ester [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 1,2,8-trihydroxy-9-oxo-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulene-6-carboxylate
Theaflavate B

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1152.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.2±3.0 kJ/mol
Flash Point: 367.7±27.8 °C
Index of Refraction: 1.875
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.03
ACD/KOC (pH 5.5): 229.33
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.77
Polar Surface Area: 264 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 145.7±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

Click to predict properties on the Chemicalize site


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