ChemSpider 2D Image | 6-Deoxy-alpha-L-galactopyranosyl-(1->2)-3-O-methyl-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose | C21H37NO15

6-Deoxy-α-L-galactopyranosyl-(1->2)-3-O-methyl-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose

  • Molecular FormulaC21H37NO15
  • Average mass543.516 Da
  • Monoisotopic mass543.216309 Da
  • ChemSpider ID88294327

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->2)-3-O-methyl-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->2)-3-O-methyl-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->2)-3-O-méthyl-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-3-O-methyl-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
6-deoxy-α-L-galacto-hexopyranosyl-(1->2)-3-O-methyl-β-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
missing
N-[(3R,4R,5S,6R)-2,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
WURCS=2.0/3,3,2/[a2122h-1x1-52*NCC/3=O][a2112h-1b1-53*OC][a1221m-1a1-5]/1-2-3/a4-b1b2-c1
  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide consisting of alpha-L-fucopyranose, 3-O-methyl-beta-D-galactopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by (1->2) and (1->4) glycosidic bonds. ChEBI CHEBI:147032

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

Density: 1.6±0.1 g/cm3
Boiling Point: 895.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.8±6.0 kJ/mol
Flash Point: 495.4±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: -0.19
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.21
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.21
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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