ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranoside | C28H32O17

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC28H32O17
  • Average mass640.544 Da
  • Monoisotopic mass640.163940 Da
  • ChemSpider ID138202

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl-2-O-β-D-galactopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Galactopyranosyl-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-[(2-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy- [ACD/Index Name]
6-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one
77139-23-2 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1013.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.0±3.0 kJ/mol
Flash Point: 331.6±27.8 °C
Index of Refraction: 1.749
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 275 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 121.1±5.0 dyne/cm
Molar Volume: 355.8±5.0 cm3

Click to predict properties on the Chemicalize site


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