ChemSpider 2D Image | Methyl 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoside | C21H37NO15

Methyl 6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC21H37NO15
  • Average mass543.516 Da
  • Monoisotopic mass543.216309 Da
  • ChemSpider ID113566
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

6-Désoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-6-desoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
102271-18-1 [RN]
b-D-Glucopyranoside, methylO-6-deoxy-a-L-galactopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy-
Me Fuc-gal-glcnac
Methyl O-fucopyranosyl-(1-2)-O-galactopyranosyl-(1-3)-2-acetamido-2-deoxyglucopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.8±6.0 kJ/mol
Flash Point: 484.3±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: -0.41
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.96
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.96
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

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