ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose | C20H35NO16

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose

  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID4450962

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->6)-β-D-galacto-hexopyranosyl-(1->4)-β-D-gluco-hexopyranose
GlcNAc(b1-6)Gal(b1-4)b-Glc
GlcNAcbeta1-6Galbeta1-4Glcbeta
missing
N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
NAG-(1-6)GAL-(1-4)GLC
More...
  • Miscellaneous

    • Chemical Class:

      A linear amino trisaccharide consisting of beta-D-glucose at the reducing end having an N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl group attached at the 4-position. ChEBI CHEBI:154644

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

Density: 1.7±0.1 g/cm3
Boiling Point: 948.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.6±6.0 kJ/mol
Flash Point: 527.5±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 317.8±5.0 cm3

Click to predict properties on the Chemicalize site


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