ChemSpider 2D Image | Methyl 2-oxo-2H-chromen-7-yl 2,3,4-tri-O-acetyl-beta-L-glucopyranosiduronate | C22H22O12

Methyl 2-oxo-2H-chromen-7-yl 2,3,4-tri-O-acetyl-β-L-glucopyranosiduronate

  • Molecular FormulaC22H22O12
  • Average mass478.403 Da
  • Monoisotopic mass478.111115 Da
  • ChemSpider ID31046540

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4-Tri-O-acétyl-β-L-glucopyranosiduronate de méthyle et de 2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[(2,3,4-tri-O-acetyl-6-methyl-β-L-glucopyranuronosyl)oxy]- [ACD/Index Name]
Methyl 2-oxo-2H-chromen-7-yl 2,3,4-tri-O-acetyl-β-L-glucopyranosiduronate [ACD/IUPAC Name]
Methyl-2-oxo-2H-chromen-7-yl-2,3,4-tri-O-acetyl-β-L-glucopyranosiduronat [German] [ACD/IUPAC Name]
168286-97-3 [RN]
7-Hydroxy Coumarin 2,3,4-Tri-O-acetyl-|A-D-glucuronide Methyl Ester
7-Hydroxy Coumarin 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester
7-Hydroxy Coumarin 2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester
Methyl 2-oxo-2H-1-benzopyran-7-yl 2,3,4-tri-O-acetyl-β-L-glucopyranosiduronate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 251.4±30.2 °C
Index of Refraction: 1.564
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.13
ACD/KOC (pH 5.5): 339.82
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.13
ACD/KOC (pH 7.4): 339.82
Polar Surface Area: 150 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 336.2±5.0 cm3

Click to predict properties on the Chemicalize site


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