ChemSpider 2D Image | 1-O-{3,4,5-Trihydroxy-2-[(3,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl)oxy]benzoyl}-D-glucopyranose | C27H20O18

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

  • Molecular FormulaC27H20O18
  • Average mass632.437 Da
  • Monoisotopic mass632.064941 Da
  • ChemSpider ID8304834

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-O-{3,4,5-Trihydroxy-2-[(3,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl)oxy]benzoyl}-D-glucopyranose [ACD/IUPAC Name]
1-O-{3,4,5-Trihydroxy-2-[(3,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl)oxy]benzoyl}-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{3,4,5-Trihydroxy-2-[(3,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-2-yl)oxy]benzoyl}-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 1-[2-[(5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-2-yl)oxy]-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: 1077.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.6±3.0 kJ/mol
Flash Point: 358.9±27.8 °C
Index of Refraction: 1.909
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 191.3±5.0 dyne/cm
Molar Volume: 290.2±5.0 cm3

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