ChemSpider 2D Image | Methyl (5xi)-6-deoxy-beta-D-arabino-hexopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranoside | C21H37NO15

Methyl (5ξ)-6-deoxy-β-D-arabino-hexopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC21H37NO15
  • Average mass543.516 Da
  • Monoisotopic mass543.216309 Da
  • ChemSpider ID57530392

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(5ξ)-6-Désoxy-β-D-arabino-hexopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ)-6-deoxy-β-D-arabino-hexopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-(5ξ)-6-desoxy-β-D-arabino-hexopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl O(5ξ)-6-deoxy-β-D-arabino-hexopyranosyl-(1->4)-O-[β-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
186315-40-2 [RN]
Lewis A Trisaccharide, Methyl Glycoside
LEWIS A TRISACCHARIDE, METHYL GLYCOSIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 853.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.1±6.0 kJ/mol
Flash Point: 470.2±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 345.4±5.0 cm3

Click to predict properties on the Chemicalize site


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