ChemSpider 2D Image | 4H-1-Benzopyran-4-one, 6,8-di-beta-D-arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)- | C25H26O13

4H-1-Benzopyran-4-one, 6,8-di-β-D-arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

  • Molecular FormulaC25H26O13
  • Average mass534.466 Da
  • Monoisotopic mass534.137329 Da
  • ChemSpider ID159918

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 6,8-di-β-D-arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphényl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
107911-03-5 [RN]
4H-1-BENZOPYRAN-4-ONE,6,8-DI-B-D-ARABINOPYRANOSYL-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-(9CI)
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one
6,8-Di-C-β-D-arabinopyranosyl apigenin
6,8-Di-C-β-D-arabinopyranosylapigenin

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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