ChemSpider 2D Image | 2-Methyl-4-oxo-4H-pyran-3-yl 2-O-{3-hydroxy-3-methyl-1-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl}-beta-D-glucopyranoside | C28H30O13

2-Methyl-4-oxo-4H-pyran-3-yl 2-O-{3-hydroxy-3-methyl-1-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl}-β-D-glucopyranoside

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID9299799

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-Methyl-4-oxo-4H-pyran-3-yl 2-O-{3-hydroxy-3-methyl-1-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl}-β-D-glucopyranoside [ACD/IUPAC Name]
2-Methyl-4-oxo-4H-pyran-3-yl-2-O-{3-hydroxy-3-methyl-1-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-{3-Hydroxy-3-méthyl-1-[(7-oxo-7H-furo[3,2-g]chromén-4-yl)oxy]-2-butanyl}-β-D-glucopyranoside de 2-méthyl-4-oxo-4H-pyran-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-methyl-4-oxo-4H-pyran-3-yl 2-O-[2-hydroxy-2-methyl-1-[[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]methyl]propyl]- [ACD/Index Name]
Pabularin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 890.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 492.3±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.49
ACD/KOC (pH 5.5): 132.80
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.49
ACD/KOC (pH 7.4): 132.80
Polar Surface Area: 184 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 376.8±5.0 cm3

Click to predict properties on the Chemicalize site


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