ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one | C25H26O13

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one

  • Molecular FormulaC25H26O13
  • Average mass534.466 Da
  • Monoisotopic mass534.137329 Da
  • ChemSpider ID9126806

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphényl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 894.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 304.3±27.8 °C
Index of Refraction: 1.770
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.28
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 115.2±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site


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