ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranose | C25H42N2O19

(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->3)-2-acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC25H42N2O19
  • Average mass674.603 Da
  • Monoisotopic mass674.238159 Da
  • ChemSpider ID170548

  • 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->3)-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->;3)-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->;3)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-β-D-glucopyranose
142434-22-8 [RN]
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranose
missing
N-acetyl-α-neuraminyl-(2->3)-β-D-galactosyl-(1->3)-N-acetyl-β-D-glucosamine
Neu5Aca2-3Galb1-3GlcNAcb
More...
  • Miscellaneous

    • Chemical Class:

      A linear amino trisaccharide comprising an <stereo>alpha</stereo>-<element>N</element>-acetylneuraminyl residue (2<arrow>right</arrow>3)-linked to a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl residue, which is in turn linked (1<arrow>right</arrow>3) to <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine. ChEBI CHEBI:71604
      A linear amino trisaccharide comprising an alpha-N-acetylneuraminyl residue (2->3)-linked to a beta-D-galactosyl residue, which is in turn linked (1->3) to N-acetyl-beta-D-glucosamine. ChEBI CHEBI:71604
      A linear amino trisaccharide comprising an alpha-N-acetylneuraminyl residue (2right3)-linked to a beta-D-galactosyl; residue, which is in turn linked (1right3) to N-acetyl-beta-D-glucosamine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71604

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: -2.95
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.48
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

Click to predict properties on the Chemicalize site


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