ChemSpider 2D Image | Methyl 4-methyl-2-oxo-2H-chromen-7-yl (5xi)-2,3,4-tri-O-acetyl-beta-D-xylo-hexopyranosiduronate | C23H24O12

Methyl 4-methyl-2-oxo-2H-chromen-7-yl (5ξ)-2,3,4-tri-O-acetyl-β-D-xylo-hexopyranosiduronate

  • Molecular FormulaC23H24O12
  • Average mass492.430 Da
  • Monoisotopic mass492.126770 Da
  • ChemSpider ID77499154

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4-methyl-7-[[(5ξ)-2,3,4-tri-O-acetyl-6-methyl-β-D-xylo-hexopyranuronosyl]oxy]- [ACD/Index Name]
Methyl 4-methyl-2-oxo-2H-chromen-7-yl (5ξ)-2,3,4-tri-O-acetyl-β-D-xylo-hexopyranosiduronate [ACD/IUPAC Name]
Methyl-4-methyl-2-oxo-2H-chromen-7-yl-(5ξ)-2,3,4-tri-O-acetyl-β-D-xylo-hexopyranosiduronat [German] [ACD/IUPAC Name]
128095-50-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 252.9±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.90
ACD/KOC (pH 5.5): 555.15
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.90
ACD/KOC (pH 7.4): 555.15
Polar Surface Area: 150 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 352.2±5.0 cm3

Click to predict properties on the Chemicalize site


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