ChemSpider 2D Image | LinearBtrisaccharide | C20H35NO16

LinearBtrisaccharide

  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID4573651

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

101627-01-4 [RN]
D-Glucopyranose, O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
LinearBtrisaccharide
α-D-Gal-(1->3)-β-D-Gal-(1->4)-D-GlcNAc
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
(Gal)2 (GlcNAc)1
alphaGal1-3βGal1-4GlcNAc
GAL?1-3GAL?1-4GLCNAC
More...

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

5322979 [DBID]
CHEBI:18217 [DBID]
  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide consisting of two <stereo>D</stereo>-galactose residues, linked <stereo>alpha</stereo>(1<arrow>right</arrow>3), and an <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine residue, linked <stereo>beta</stereo>(1<arrow>right</arrow>4), at the reducing end. ChEBI CHEBI:18217
      An amino trisaccharide consisting of two D-galactose residues, linked alpha(1->3), and an N-acetyl-D-glucosamine residue, linked beta(1->4), at the reducing end. ChEBI CHEBI:18217
      An amino trisaccharide consisting of two D-galactose residues, linked alpha(1right3), and an N-acetyl-D-glucosamine; residue, linked beta(1right4), at the reducing end. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18217

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

Density: 1.7±0.1 g/cm3
Boiling Point: 998.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.0±6.0 kJ/mol
Flash Point: 557.5±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: -3.85
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.20
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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