ChemSpider 2D Image | Methyl 4-O-[(2xi)-2-acetamido-2-deoxy-beta-L-arabino-hexopyranosyl]-beta-D-glucopyranosiduronic acid | C15H25NO12

Methyl 4-O-[(2ξ)-2-acetamido-2-deoxy-β-L-arabino-hexopyranosyl]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC15H25NO12
  • Average mass411.358 Da
  • Monoisotopic mass411.137665 Da
  • ChemSpider ID68024499

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

Acide 4-O-[(2ξ)-2-acétamido-2-désoxy-β-L-arabino-hexopyranosyl]-β-D-glucopyranosiduronique de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-[(2ξ)-2-acetamido-2-deoxy-β-L-arabino-hexopyranosyl]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Methyl-4-O-[(2ξ)-2-acetamido-2-desoxy-β-L-arabino-hexopyranosyl]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, methyl 4-O-[(2ξ)-2-(acetylamino)-2-deoxy-β-L-arabino-hexopyranosyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 806.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.5±6.0 kJ/mol
Flash Point: 441.5±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.48
ACD/LogD (pH 5.5): -5.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 254.8±5.0 cm3

Click to predict properties on the Chemicalize site


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