ChemSpider 2D Image | beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp | C37H62N2O29

β-D-Galp-(1->3)-β-D-GalpNAc-(1->4)-[α-Neup5Ac-(2->3)]-β-D-Galp-(1->4)-β-D-Glcp

  • Molecular FormulaC37H62N2O29
  • Average mass998.884 Da
  • Monoisotopic mass998.343811 Da
  • ChemSpider ID170299

  • defined stereocentres - 26 of 26 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-galactopyranosyl-(1->4)]-β-D-gala ctopyranosyl-(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->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)]-β-D-ga lactopyranosyl-(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->3)-[β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)]-β-D-ga lactopyranosyl-(1->;4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Galp-(1->3)-β-D-GalpNAc-(1->4)-[α-Neup5Ac-(2->3)]-β-D-Galp-(1->4)-β-D-Glcp
β-D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-[O-β-D-galactopyranosyl-(1->;3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)]-O-b η-D-galactopyranosyl-(1->4)- [ACD/Index Name]
5-acetamido-3,5-dideoxy-D-glycero-α-D-β-non-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glu
5-acetamido-3,5-dideoxy-D-glycero-α-D-β-non-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose
85373-04-2 [RN]
copyranose
G(M1)-Oligosaccharide
More...

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

8754288 [DBID]
  • Miscellaneous

    • Chemical Class:

      A branched amino pentasaccharide consisting of the linear sequence <stereo>beta</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-GalNAc-(1<arrow>right< /arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Glc having a Neu5Ac residue attached to the inner galactose via an <stereo>alph a</stereo>-(2<arrow>right</arrow>3) linkage. ChEBI CHEBI:59208
      A branched amino pentasaccharide consisting of the linear sequence beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc having a Neu5Ac residue attached to the inner galactose via an al pha-(2->3) linkage. The oligosaccharide of ganglioside GM1a. ChEBI CHEBI:59208
      A branched amino pentasaccharide consisting of the linear sequence beta-D-Gal-(1right3)-beta-D-GalNAc-(1<arrow>right<; /arrow>4)-beta-D-Gal-(1right4)-beta-D-Glc having a Neu5Ac residue attached to the inner galactose via an alph; a-(2right3) linkage. The oligosaccharide of ganglioside GM1. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59208

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1442.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 247.8±6.0 kJ/mol
Flash Point: 826.4±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 212.0±0.4 cm3
#H bond acceptors: 31
#H bond donors: 19
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -4.78
ACD/LogD (pH 5.5): -9.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 502 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 117.8±5.0 dyne/cm
Molar Volume: 563.0±5.0 cm3

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