ChemSpider 2D Image | 3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl beta-D-glucopyranoside | C22H26O11

3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl β-D-glucopyranoside

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID29814864

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[3-(β-D-glucopyranosyloxy)-2-hydroxy-3-methylbutoxy]- [ACD/Index Name]
β-D-Glucopyranoside de 3-hydroxy-2-méthyl-4-[(7-oxo-7H-furo[3,2-g]chromén-4-yl)oxy]-2-butanyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 767.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 418.2±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.88
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.88
Polar Surface Area: 168 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 81.5±5.0 dyne/cm
Molar Volume: 301.4±5.0 cm3

Click to predict properties on the Chemicalize site


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