ChemSpider 2D Image | 3,5,7-Trihydroxy-2-(3-hydroxy-4-{[(2R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}phenyl)-4H-chromen-4-one | C20H18O12

3,5,7-Trihydroxy-2-(3-hydroxy-4-{[(2R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}phenyl)-4H-chromen-4-one

  • Molecular FormulaC20H18O12
  • Average mass450.350 Da
  • Monoisotopic mass450.079834 Da
  • ChemSpider ID24844948

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3,5,7-Trihydroxy-2-(3-hydroxy-4-{[(2R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}phenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(3-hydroxy-4-{[(2R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}phenyl)-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(3-hydroxy-4-{[(2R,5R,6S)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]oxy}phényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 811.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 289.3±27.8 °C
Index of Refraction: 1.822
Molar Refractivity: 102.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.15
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 135.8±3.0 dyne/cm
Molar Volume: 235.0±3.0 cm3

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