ChemSpider 2D Image | 3-O-(3,4,5-Trihydroxybenzoyl)-2-O-{3,4,5-trihydroxy-2-[(2,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl)oxy]benzoyl}-D-glucopyranose | C34H24O22

3-O-(3,4,5-Trihydroxybenzoyl)-2-O-{3,4,5-trihydroxy-2-[(2,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl)oxy]benzoyl}-D-glucopyranose

  • Molecular FormulaC34H24O22
  • Average mass784.541 Da
  • Monoisotopic mass784.075928 Da
  • ChemSpider ID28525704

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-O-(3,4,5-Trihydroxybenzoyl)-2-O-{3,4,5-trihydroxy-2-[(2,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl)oxy]benzoyl}-D-glucopyranose [German] [ACD/IUPAC Name]
3-O-(3,4,5-Trihydroxybenzoyl)-2-O-{3,4,5-trihydroxy-2-[(2,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl)oxy]benzoyl}-D-glucopyranose [ACD/IUPAC Name]
3-O-(3,4,5-Trihydroxybenzoyl)-2-O-{3,4,5-trihydroxy-2-[(2,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-3-yl)oxy]benzoyl}-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-[2-[(5,10-dihydro-2,7,8-trihydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-3-yl)oxy]-3,4,5-trihydroxybenzoate] 3-(3,4,5-trihydroxybenzoate) [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1275.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 199.9±3.0 kJ/mol
Flash Point: 402.6±27.8 °C
Index of Refraction: 1.923
Molar Refractivity: 170.2±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 4.39
ACD/KOC (pH 5.5): 77.31
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 366 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 197.2±5.0 dyne/cm
Molar Volume: 359.5±5.0 cm3

Click to predict properties on the Chemicalize site


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