ChemSpider 2D Image | alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc | C25H42N2O19

α-Neup5Ac-(2->3)-β-D-Galp-(1->4)-β-D-GlcpNAc

  • Molecular FormulaC25H42N2O19
  • Average mass674.603 Da
  • Monoisotopic mass674.238159 Da
  • ChemSpider ID28533682

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
α-Neup5Ac-(2->3)-β-D-Galp-(1->4)-β-D-GlcpNAc
β-D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
(6r)-5-(Acetylamino)-3,5-Dideoxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranonosyl-(2->3)-β-D-Galactopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-β-D-Glucopyranose
4U2
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose
missing
N-acetyl-α-neuraminyl-(2->3)-β-D-galactosyl-(1->4)-N-acetyl-β-D-glucosamine
More...
  • Miscellaneous

    • Chemical Class:

      <stereo>alpha</stereo>-Neu<ringsugar>p</ringsugar>5Ac-(2<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>D</stereo>-Glc<ring sugar>p</ringsugar>NAc with <stereo>beta</stereo> configuration at the anomeric position of the reducing-end <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine residue. ChEBI CHEBI:71612
      alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc with beta configuration at the anomeric position of the reducing-end N-acetyl-D-glucosamine residue. ChEBI CHEBI:71612
      alpha-Neup5Ac-(2right3)-beta-D-Galp-(1right4)-D-GlcpNAc with beta configuration at the anomeric position of the reducing-end N-acetyl-D-glucosamine residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71612

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1190.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 199.1±6.0 kJ/mol
Flash Point: 673.8±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -6.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 105.1±5.0 dyne/cm
Molar Volume: 396.6±5.0 cm3

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