Disialyl-N-tetraose
[CAS# 61278-38-4]

Identification

• Name: Disialyl-N-tetraose
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-[[(2R,4S,5R,6R)-5-Acetamido-2-Carboxylato-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Yl]Oxymethyl]-6-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-Methylol-6-[(2R,3S,4R,5R)-4,5,6-Trihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-3-Hydroxy-Tetrahydropyran-4-Yl]Oxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylate; (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-2-[[(2R,4S,5R,6R)-5-Acetamido-2-Carboxylato-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxan-2-Yl]Oxymethyl]-6-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-Oxan-4-Yl]Oxy-3-Hydroxy-Oxan-4-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylate; D-Glucose, O-(N-Acetyl-Alpha-Neuraminosyl)-(2-6)-O-(O-(N-Acetyl-Alpha-Neuraminosyl)-(2-3)-Beta-D-Galactopyranosyl-(1-3))-O-2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1-3)-Stereoisomer
• Molecular Formula: C₄₈H₇₇N₃O₃₇
• Molecular Weight: 1288.13
• CAS Registry Number: 61278-38-4
• SMILES: [C@]1(O[C@@H]([C@@H]([C@H](O)CO)O)[C@@H]([C@H](C1)O)NC(=O)C)(O[C@@H]6[C@H]([C@H](O[C@@H]4[C@H]([C@H](O[C@@H]3[C@H]([C@H](O[C@H]2[C@@H]([C@@H](O)C(O[C@@H]2CO)O)O)O[C@@H]([C@@H]3O)CO)O)O[C@@H]([C@H]4O)CO[C@]5(O[C@@H]([C@@H]([C@H](O)CO)O)[C@@H]([C@H](C5)O)NC(=O)C)C([O-])=O)NC(=O)C)O[C@@H]([C@@H]6O)CO)O)C([O-])=O
• InChI: 1S/C48H79N3O37/c1-12(57)49-23-15(60)4-47(45(74)75,86-37(23)26(64)17(62)6-52)78-11-22-30(68)36(25(51-14(3)59)42(82-22)85-39-28(66)19(8-54)80-43(33(39)71)83-35-21(10-56)79-41(73)32(70)31(35)69)84-44-34(72)40(29(67)20(9-55)81-44)88-48(46(76)77)5-16(61)24(50-13(2)58)38(87-48)27(65)18(63)7-53/h15-44,52-56,60-73H,4-11H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75)(H,76,77)/p-2/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41?,42-,43-,44-,47+,48-/m0/s1
• InChIKey: FCIROHDMPFOSFG-LAVSNGQLSA-L

Properties

• Boiling point: 1679.565°C at 760 mmHg (Cal.)
• Flash point: 969.566°C (Cal.)