ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 3-O-(6-deoxy-alpha-L-gulopyranosyl)-beta-D-gulopyranoside | C22H28O12

4-Methyl-2-oxo-2H-chromen-7-yl 3-O-(6-deoxy-α-L-gulopyranosyl)-β-D-gulopyranoside

  • Molecular FormulaC22H28O12
  • Average mass484.451 Da
  • Monoisotopic mass484.158081 Da
  • ChemSpider ID62565750

  • 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, 7-[[3-O-(6-deoxy-α-L-gulopyranosyl)-β-D-gulopyranosyl]oxy]-4-methyl- [ACD/Index Name]
3-O-(6-Désoxy-α-L-gulopyranosyl)-β-D-gulopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl 3-O-(6-deoxy-α-L-gulopyranosyl)-β-D-gulopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-3-O-(6-desoxy-α-L-gulopyranosyl)-β-D-gulopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 795.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 274.9±26.4 °C
Index of Refraction: 1.658
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.94
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.94
Polar Surface Area: 185 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 304.7±5.0 cm3

Click to predict properties on the Chemicalize site


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