ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl beta-D-galactopyranoside | C23H24O13

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl β-D-galactopyranoside

  • Molecular FormulaC23H24O13
  • Average mass508.429 Da
  • Monoisotopic mass508.121704 Da
  • ChemSpider ID4590843
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

4H-1-Benzopyran-4-one, 3-(β-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl β-D-galactopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-3-yl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-8-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
103839-19-6 [RN]
38836-51-0 [RN]
4H-1-Benzopyran-4-one, 3-(β-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-
4H-1-BENZOPYRAN-4-ONE,3-(B-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-8-METHOXY-
Limocitrin 3-galactoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 849.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 292.5±27.8 °C
Index of Refraction: 1.730
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.56
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 205 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 107.1±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

Click to predict properties on the Chemicalize site






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