ChemSpider 2D Image | (6R)-2,6-Anhydro-1,5-dideoxy-6-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-xylo-hexitol | C28H32O14

(6R)-2,6-Anhydro-1,5-dideoxy-6-[7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-xylo-hexitol

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID9214401
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(6R)-2,6-Anhydro-1,5-dideoxy-6-[7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-xylo-hexitol [ACD/IUPAC Name]
(6R)-2,6-Anhydro-1,5-didesoxy-6-[7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-xylo-hexitol [German] [ACD/IUPAC Name]
(6R)-2,6-Anhydro-1,5-didésoxy-6-[7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-4H-chromén-6-yl]-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Hexitol, 2,6-anhydro-1,5-dideoxy-6-C-[7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (6R)- [ACD/Index Name]
6-C-β-boivinopyranosyl-7-O-β-glucopyranoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 864.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 285.3±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 83.2±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

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