ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose | C23H39NO19

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose

  • Molecular FormulaC23H39NO19
  • Average mass633.551 Da
  • Monoisotopic mass633.211609 Da
  • ChemSpider ID28533722

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose
(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-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->6)-β-D-galactopyranosyl-(1->;4)-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->6)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->6)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-2-yl]methoxy}-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid6'-Monosialyllactose
35890-39-2 [RN]
4U0
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose
6'-a-Sialyllactose
More...
  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide comprised of <stereo>alpha</stereo>-neuraminic acid, <stereo>beta</stereo>-<stereo>D</stereo>-galactopyranose and <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose residues linked sequentially (2<arrow>right</arrow>6) and (1<arrow>right</arrow>4). ChEBI CHEBI:71943, CHEBI:85039
      An amino trisaccharide comprised of alpha-neuraminic acid, beta-D-galactopyranose and beta-D-glucopyranose residues linked sequentially (2->6) and (1->4). ChEBI CHEBI:85039
      An amino trisaccharide comprised of alpha-neuraminic acid, beta-D-galactopyranose and beta-D-glucopyranose residues; linked sequentially (2right6) and (1right4). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85039
      An amino trisaccharide consisting of sialyl, <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl and <stereo>beta</stereo>-<stereo>D</stereo>-glucose residues connected sequentially by (2<arrow>right< /arrow>6) and (1<arrow>right</arrow>4) linkages. ChEBI CHEBI:71943, CHEBI:85039
      An amino trisaccharide consisting of sialyl, beta-D-galactosyl and beta-D-glucose residues connected sequentially by (2<arrow>right<; /arrow>6) and (1right4) linkages. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71943
      An amino trisaccharide consisting of sialyl, beta-D-galactosyl and beta-D-glucose residues connected sequentially by (2->6) and (1->4) linkages. ChEBI CHEBI:71943

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1134.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.8±6.0 kJ/mol
Flash Point: 639.6±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -6.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 115.9±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement