ChemSpider 2D Image | 3,4,5-Trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-5-yl}oxy)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) | C33H38O20

3,4,5-Trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-5-yl}oxy)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC33H38O20
  • Average mass754.643 Da
  • Monoisotopic mass754.195618 Da
  • ChemSpider ID74886650

More details:






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

3,4,5-Trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-5-yl}oxy)tetrahydro-2H-pyran-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
3,4,5-Trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-5-yl}oxy)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide 3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-2-phényl-3,6-bis[3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-4H-chromén-5-yl}oxy)tétrahydro-2H-pyrane-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-5-yl}oxy)oxane-2-carboxylic acid

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1108.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.7±3.0 kJ/mol
Flash Point: 349.3±27.8 °C
Index of Refraction: 1.742
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -5.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 343 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 116.6±3.0 dyne/cm
Molar Volume: 418.9±3.0 cm3

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