ChemSpider 2D Image | 2-(4-{[(2S,3R,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-3-hydroxyphenyl)-6,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside | C26H28O16

2-(4-{[(2S,3R,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-3-hydroxyphenyl)-6,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside

  • Molecular FormulaC26H28O16
  • Average mass596.491 Da
  • Monoisotopic mass596.137756 Da
  • ChemSpider ID9321503

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-(4-{[(2S,3R,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-3-hydroxyphenyl)-6,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-{[(2S,3R,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-3-hydroxyphenyl)-6,7-dihydroxy-4-oxo-4H-chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-6,7-dihydroxy-2-[3-hydroxy-4-[[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy]phenyl]- [ACD/Index Name]
β-D-Glucopyranoside de 2-(4-{[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}-3-hydroxyphényl)-6,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1031.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.0±3.0 kJ/mol
Flash Point: 343.7±27.8 °C
Index of Refraction: 1.786
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.42
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 135.3±5.0 dyne/cm
Molar Volume: 316.7±5.0 cm3

Click to predict properties on the Chemicalize site


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