G(M1)-Oligosaccharide

Base Information

• Chemical Name: G(M1)-Oligosaccharide
• CAS No.: 85373-04-2
• Molecular Formula: C37H62N2O29
• Molecular Weight: 998.88
• DSSTox Substance ID: DTXSID901099548
• Nikkaji Number: J2.129.823I
• Wikidata: Q27126534
• Metabolomics Workbench ID: 60474
• Mol file: 85373-04-2.mol

Synonyms:GAL-(1-3)NGA-(1-4)GAL-(1-4)GLC-(3,3-2)SIA;beta-D-Glucopyranose, O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-;GM1 carbohydrate moiety;GM1-Oligosaccharide;(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;

Chemical Property of G(M1)-Oligosaccharide

Chemical Property:

• Boiling Point: 1442.9 °C at 760 mmHg
• Flash Point: 826.4 °C
• PSA: 502.25000
• Density: 1.77 g/cm³
• LogP: -11.64940
• XLogP3: -10.9
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 18
• Exact Mass: 998.34382394
• Heavy Atom Count: 68
• Complexity: 1660

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)CO)OC5C(OC(C(C5O)O)O)CO)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)CO)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)O)O