ChemSpider 2D Image | 4-{7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-3-yl}phenyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C33H40O19

4-{7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-3-yl}phenyl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID9127961

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 4-{7-[(6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromén-3-yl}phényle [French] [ACD/IUPAC Name]
4-{7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-3-yl}phenyl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-{7-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-3-yl}phenyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-[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: 1.7±0.1 g/cm3
Boiling Point: 1066.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.6±3.0 kJ/mol
Flash Point: 336.2±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 169.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 112.8±5.0 dyne/cm
Molar Volume: 424.1±5.0 cm3

Click to predict properties on the Chemicalize site


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