ChemSpider 2D Image | 2-(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-(3,4,5-trihydroxyphenylcarbonyloxy)chroman-8-yl)-2-(3,4,5-trihydroxyphenyl)-1-((2,4,6-trihydroxyphenyl)methyl)ethyl 3,4,5-trihydroxybenzoate | C44H36O22

2-(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-(3,4,5-trihydroxyphenylcarbonyloxy)chroman-8-yl)-2-(3,4,5-trihydroxyphenyl)-1-((2,4,6-trihydroxyphenyl)methyl)ethyl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC44H36O22
  • Average mass916.743 Da
  • Monoisotopic mass916.169800 Da
  • ChemSpider ID20128894

More details:

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

1-{5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl}-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)-2-propanyl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
1-{5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl}-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)-2-propanyl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
2-(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-(3,4,5-trihydroxyphenylcarbonyloxy)chroman-8-yl)-2-(3,4,5-trihydroxyphenyl)-1-((2,4,6-trihydroxyphenyl)methyl)ethyl 3,4,5-trihydroxybenzoate
3,4,5-Trihydroxybenzoate de 1-{5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphényl)-3,4-dihydro-2H-chromén-8-yl}-3-(2,4,6-trihydroxyphényl)-1-(3,4,5-trihydroxyphényl)-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2-[3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)me thyl]ethyl ester [ACD/Index Name]
1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propan-2-yl 3,4,5-trihydroxybenzoate
Assamicain A

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

Density: 2.0±0.0 g/cm3
Boiling Point: 1425.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 225.2±0.0 kJ/mol
Flash Point: 426.3±0.0 °C
Index of Refraction: 1.937
Molar Refractivity: 216.7±0.0 cm3
#H bond acceptors: 22
#H bond donors: 17
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.91
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.25
Polar Surface Area: 406 Å2
Polarizability: 85.9±0.0 10-24cm3
Surface Tension: 190.8±0.0 dyne/cm
Molar Volume: 452.6±0.0 cm3

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