ChemSpider 2D Image | 6-O-{6-Deoxy-4-O-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl]-alpha-L-mannopyranosyl}-beta-D-glucopyranose | C29H34O17

6-O-{6-Deoxy-4-O-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl]-α-L-mannopyranosyl}-β-D-glucopyranose

  • Molecular FormulaC29H34O17
  • Average mass654.570 Da
  • Monoisotopic mass654.179626 Da
  • ChemSpider ID25031356

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6-O-{6-Deoxy-4-O-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl]-α-L-mannopyranosyl}-β-D-glucopyranose [ACD/IUPAC Name]
6-O-{6-Desoxy-4-O-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl]-α-L-mannopyranosyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-{6-Désoxy-4-O-[2-(3,4-dihydroxyphényl)-5-hydroxy-7-(2-hydroxyéthoxy)-4-oxo-4H-chromén-3-yl]-α-L-mannopyranosyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-[6-deoxy-4-O-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-1-benzopyran-3-yl]-α-L-mannopyranosyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1017.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.6±3.0 kJ/mol
Flash Point: 330.4±27.8 °C
Index of Refraction: 1.734
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.15
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 275 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 114.9±5.0 dyne/cm
Molar Volume: 372.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement