ChemSpider 2D Image | beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-alpha-D-GalpNAc | C25H42N2O19

β-D-Galp-(1->3)-[α-Neup5Ac-(2->6)]-α-D-GalpNAc

  • Molecular FormulaC25H42N2O19
  • Average mass674.603 Da
  • Monoisotopic mass674.238159 Da
  • ChemSpider ID26333040

  • 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->6)-[β-D-galactopyranosyl-(1->;3)]-2-acetamido-2-deoxy-α-D-galactopyranose [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->3)]-2-acetamido-2-desoxy-α-D-galactopyranose [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->3)]-2-acétamido-2-désoxy-α-D-galactopyranose [French] [ACD/IUPAC Name]
α-D-Galactopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->6)-O-[β-D-galactopyranosyl-(1->;3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Galp-(1->3)-[α-Neup5Ac-(2->6)]-α-D-GalpNAc
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->6)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-α-D-galactopyranose
Galbeta1->3(Neu5Acalpha2->6)GalNAcalpha
Galbeta1-3(Neu5Acalpha2-6)GalNAcalpha
missing
N-acetyl-α-neuraminosyl-(2->6)-[β-D-galactosyl-(1->3)]-N-acetyl-α-D-galactosamine
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino trisaccharide that consists of <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosamine having a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl residue attached at the 3-position and an <stereo>alpha</stereo>-<element>N</element>-acetylneuraminosyl residue attached at the 6-position. ChEBI CHEBI:63233
      A branched amino trisaccharide that consists of N-acetyl-alpha-D-galactosamine having a beta-D-galactosyl residue attached at the 3-position and an alpha-N-acetylneuraminosyl residue attached at the 6 -position. ChEBI CHEBI:63233
      A branched amino trisaccharide that consists of N-acetyl-alpha-D-galactosamine having a beta-D-galactosyl residue; attached at the 3-position and an alpha-N-acetylneuraminosyl residue attached at the 6-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63233

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1192.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 199.5±6.0 kJ/mol
Flash Point: 675.0±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: -5.87
ACD/LogD (pH 5.5): -9.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.75
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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