ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-{[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-one (non-pref erred name) | C26H28O16

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-{[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-one (non-pref erred name)

  • Molecular FormulaC26H28O16
  • Average mass596.491 Da
  • Monoisotopic mass596.137756 Da
  • ChemSpider ID21340778

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-{[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-on (non-prefe rred name) [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-{[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-one (non-pref erred name) [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-5-hydroxy-7-{[(2R,3R,4S,5S)-2,3,4,5-tétrahydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}-4H-chromén-4-one (non-pref erred name) [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: 977.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.2±3.0 kJ/mol
Flash Point: 326.2±27.8 °C
Index of Refraction: 1.785
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.77
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 134.9±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


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