ChemSpider 2D Image | 8-Hydroxy-3-methyl-1-oxo-1H-isochromen-6-yl 4-O-methylhexopyranoside | C17H20O9

8-Hydroxy-3-methyl-1-oxo-1H-isochromen-6-yl 4-O-methylhexopyranoside

  • Molecular FormulaC17H20O9
  • Average mass368.335 Da
  • Monoisotopic mass368.110718 Da
  • ChemSpider ID24617112

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one
1H-2-Benzopyran-1-one, 8-hydroxy-3-methyl-6-[(4-O-methylhexopyranosyl)oxy]- [ACD/Index Name]
4-O-Méthylhexopyranoside de 8-hydroxy-3-méthyl-1-oxo-1H-isochromén-6-yle [French] [ACD/IUPAC Name]
8-Hydroxy-3-methyl-1-oxo-1H-isochromen-6-yl 4-O-methylhexopyranoside [ACD/IUPAC Name]
8-Hydroxy-3-methyl-1-oxo-1H-isochromen-6-yl-4-O-methylhexopyranosid [German] [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: 665.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 244.0±25.0 °C
Index of Refraction: 1.643
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 119.18
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 25.37
Polar Surface Area: 135 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 238.8±5.0 cm3

Click to predict properties on the Chemicalize site


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