ChemSpider 2D Image | 6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C28H32O14

6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID28283414
  • defined stereocentres - 6 of 8 defined stereocentres


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

4H-1-Benzopyran-4-one, 6-methoxy-3-(4-methoxyphenyl)-7-[[6-O-[(2R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-[(2R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 6-méthoxy-3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
7-hydroxy-4',6-dimethoxyisoflavone 7-O-b-D-apiofuranosyl-(1®6)-b-D-glucopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 876.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 289.2±27.8 °C
Index of Refraction: 1.678
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.22
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.22
Polar Surface Area: 203 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 372.5±5.0 cm3

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