ChemSpider 2D Image | (5S)-5-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-beta-L-xylopyranosyl beta-D-glucopyranoside | C26H28O16

(5S)-5-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-β-L-xylopyranosyl β-D-glucopyranoside

  • Molecular FormulaC26H28O16
  • Average mass596.491 Da
  • Monoisotopic mass596.137756 Da
  • ChemSpider ID8591526

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5S)-5-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-β-L-xylopyranosyl β-D-glucopyranoside [ACD/IUPAC Name]
(5S)-5-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-β-L-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (5S)-5-[2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-6-yl]-β-L-xylopyranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (5S)-5-C-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-β-L-xylopyranosyl [ACD/Index 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: 1009.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.4±3.0 kJ/mol
Flash Point: 336.6±27.8 °C
Index of Refraction: 1.812
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.45
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 147.1±5.0 dyne/cm
Molar Volume: 309.1±5.0 cm3

Click to predict properties on the Chemicalize site


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