De-N-acetyllysoGM1
[CAS# 152784-11-7]

Identification

• Name: De-N-acetyllysoGM1
• Synonyms: (2S,4S,5R,6R)-5-Amino-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-Amino-5-Hydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-[(2R,3S,4R,5R,6R)-6-[(E)-2-Amino-3-Hydroxy-Icos-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Amino-2-[[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4R,5R,6R)-3-Amino-5-Hydroxy-6-(Hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-[[(2R,3S,4R,5R,6R)-6-[(E)-2-Amino-3-Hydroxyicos-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-3-Hydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Amino-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E)-2-Amino-3-Hydroxy-Icos-4-Enoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-5-[(2S,3R,4R,5R,6R)-3-Amino-5-Hydroxy-6-Methylol-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₅₃H₉₇N₃O₂₈
• Molecular Weight: 1224.35
• CAS Registry Number: 152784-11-7
• SMILES: [C@@]5(O[C@H]4[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]2N)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)OCC(N)C(O)\C=C\CCCCCCCCCCCCCCC)[C@@H]4O)CO)(O[C@H]([C@H](N)[C@@H](O)C5)C(O)C(O)CO)C(=O)O
• InChI: 1S/C53H97N3O28/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(62)25(54)24-75-49-41(71)39(69)43(31(22-60)78-49)80-51-42(72)47(84-53(52(73)74)18-27(63)33(55)46(83-53)35(65)28(64)19-57)44(32(23-61)79-51)81-48-34(56)45(37(67)30(21-59)76-48)82-50-40(70)38(68)36(66)29(20-58)77-50/h16-17,25-51,57-72H,2-15,18-24,54-56H2,1H3,(H,73,74)/b17-16+/t25?,26?,27-,28?,29+,30+,31+,32+,33+,34+,35?,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,53-/m0/s1
• InChIKey: RINPOXNCRXGFAV-FNXAHOOKSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 1343.832°C at 760 mmHg (Cal.)
• Flash point: 766.522°C (Cal.)