ChemSpider 2D Image | 4-(3,4-Dihydroxyphenyl)-7-hydroxy-2-oxo-2H-chromen-5-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C26H28O15

4-(3,4-Dihydroxyphenyl)-7-hydroxy-2-oxo-2H-chromen-5-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC26H28O15
  • Average mass580.492 Da
  • Monoisotopic mass580.142822 Da
  • ChemSpider ID23550968
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
4-(3,4-Dihydroxyphenyl)-7-hydroxy-2-oxo-2H-chromen-5-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-(3,4-Dihydroxyphenyl)-7-hydroxy-2-oxo-2H-chromen-5-yl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-(3,4-dihydroxyphényl)-7-hydroxy-2-oxo-2H-chromén-5-yle [French] [ACD/IUPAC Name]
5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-apiosyl-(1->6)-glucoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1003.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.3±3.0 kJ/mol
Flash Point: 335.7±27.8 °C
Index of Refraction: 1.766
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.33
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.16
Polar Surface Area: 245 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 124.1±5.0 dyne/cm
Molar Volume: 319.7±5.0 cm3

Click to predict properties on the Chemicalize site






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