ChemSpider 2D Image | 2,2'-Bis(3,4-dihydroxyphenyl)-3,5,5',7,7'-pentahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-3'-yl 3,4,5-trihydroxybenzoate | C37H30O16

2,2'-Bis(3,4-dihydroxyphenyl)-3,5,5',7,7'-pentahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-3'-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC37H30O16
  • Average mass730.625 Da
  • Monoisotopic mass730.153381 Da
  • ChemSpider ID4478726

More details:

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

2,2'-Bis(3,4-dihydroxyphenyl)-3,5,5',7,7'-pentahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-3'-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
2,2'-Bis(3,4-dihydroxyphenyl)-3,5,5',7,7'-pentahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-3'-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de 2,2'-bis(3,4-dihydroxyphényl)-3,5,5',7,7'-pentahydroxy-3,3',4,4'-tétrahydro-2H,2'H-4,6'-bichromén-3'-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-3,5,5',7,7'-pentahydroxy[4,6'-bi-2H-1-benzopyran]-3'-yl ester [ACD/Index Name]
Procyanidin B-5,3'-O-gallate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1011.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.6±3.0 kJ/mol
Flash Point: 319.7±27.8 °C
Index of Refraction: 1.902
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.90
ACD/KOC (pH 5.5): 554.66
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.53
ACD/KOC (pH 7.4): 527.28
Polar Surface Area: 288 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 160.4±5.0 dyne/cm
Molar Volume: 380.9±5.0 cm3

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