ChemSpider 2D Image | 2-(4-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H50O24

2-(4-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID115269398

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

2-(4-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-(4-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}phényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-[4-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-5-hydroxy- [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: 1207.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.7±3.0 kJ/mol
Flash Point: 363.7±27.8 °C
Index of Refraction: 1.732
Molar Refractivity: 202.8±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 118.7±5.0 dyne/cm
Molar Volume: 507.2±5.0 cm3

Click to predict properties on the Chemicalize site


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