ChemSpider 2D Image | 5-Methyl-2-oxo-2H-chromen-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C22H28O13

5-Methyl-2-oxo-2H-chromen-4-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC22H28O13
  • Average mass500.450 Da
  • Monoisotopic mass500.152985 Da
  • ChemSpider ID170345
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 4-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-methyl- [ACD/Index Name]
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 5-méthyl-2-oxo-2H-chromén-4-yle [French] [ACD/IUPAC Name]
5-Methyl-2-oxo-2H-chromen-4-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Methyl-2-oxo-2H-chromen-4-yl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
109974-31-4 [RN]
2H-1-Benzopyran-2-one,4-[(4-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-5-methyl-
5-Mccb
5-Methylcoumarin-4-cellobioside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 848.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 292.5±27.8 °C
Index of Refraction: 1.677
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.58
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 205 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 94.8±5.0 dyne/cm
Molar Volume: 301.9±5.0 cm3

Click to predict properties on the Chemicalize site






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