ChemSpider 2D Image | 2-Acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose | C22H38N2O16

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID8479307

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1->3)-β-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranose
missing
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideWURCS=2.0/3,3,2/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-5][a2112h-1a1-52*NCC/3=O]/1-2-3/a4-b1b3-c1
  • Miscellaneous

    • Chemical Class:

      An aminotrisaccharide consisting of 2-acetamido-2-deoxy-alpha-D-galactose, beta-D-galactopyranose and 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined in sequence by (1->3) and (1->4) glycosid ic bonds. ChEBI CHEBI:147000

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1080.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.2±6.0 kJ/mol
Flash Point: 607.0±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 94.9±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

Click to predict properties on the Chemicalize site


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