GM1-Oligosaccharide
[CAS# 85373-04-2]

Identification

• Name: GM1-Oligosaccharide
• Synonyms: (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)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-2-(Hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (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)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-2-(Hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-4-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-Hydroxy-6-Methylol-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-2-Methylol-6-[(2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₃₇H₆₂N₂O₂₉
• Molecular Weight: 998.89
• CAS Registry Number: 85373-04-2
• SMILES: [C@H]([C@H]5[C@@H]([C@H](C[C@@](O[C@H]2[C@H]([C@H](O[C@@H](O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)O)O)[C@@H]2O)CO)O[C@H]3[C@H](NC(C)=O)[C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4O[C@@H]([C@@H]([C@@H]([C@H]4O)O)O)CO)(O5)C(O)=O)O)NC(C)=O)([C@@H](CO)O)O
• InChI: 1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-26(56)35(64-27-15(7-43)60-32(57)24(54)23(27)53)63-16(8-44)28(31)65-33-18(39-10(2)46)29(21(51)14(6-42)61-33)66-34-25(55)22(52)20(50)13(5-41)62-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,37-/m0/s1
• InChIKey: NSWYGIPOSHIRHB-ZMCCZBDLSA-N

Properties

• Density: 1.774g/cm³ (Cal.)
• Boiling point: 1442.865°C at 760 mmHg (Cal.)
• Flash point: 826.415°C (Cal.)