(2S,4R,5R)-5-Acetamido-2-[(2S,3S,5S)-2-[(3S,5S,6S)-5-Acetamido-6-[(3S,5S,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-[(3S,5S,6R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-2-(Hydroxymethyl)-4-[(2S,3S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
[CAS# 127923-85-7]

Identification

• Name: (2S,4R,5R)-5-Acetamido-2-[(2S,3S,5S)-2-[(3S,5S,6S)-5-Acetamido-6-[(3S,5S,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-[(3S,5S,6R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-2-(Hydroxymethyl)-4-[(2S,3S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Synonyms: Sialyl Lewis X-Lactose
• Molecular Formula: C₄₃H₇₂N₂O₃₃
• Molecular Weight: 1145.03
• CAS Registry Number: 127923-85-7
• SMILES: CC1[C@H](C([C@@H]([C@@H](O1)OC2[C@@H]([C@@H](OC([C@H]2O[C@H]3[C@H](C([C@H](C(O3)CO)O)O[C@@]4(C[C@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC5[C@@H]([C@@H](OC([C@@H]5O)CO)O[C@@H]6C(O[C@H]([C@H](C6O)O)O)CO)O)NC(=O)C)O)O)O
• InChI: 1S/C43H72N2O33/c1-10-21(55)25(59)28(62)39(68-10)75-34-20(45-12(3)52)38(76-35-23(57)15(6-47)70-40(29(35)63)73-31-17(8-49)69-37(65)27(61)26(31)60)72-18(9-50)32(34)74-41-30(64)36(24(58)16(7-48)71-41)78-43(42(66)67)4-13(53)19(44-11(2)51)33(77-43)22(56)14(54)5-46/h10,13-41,46-50,53-65H,4-9H2,1-3H3,(H,44,51)(H,45,52)(H,66,67)/t10?,13-,14-,15?,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+,43+/m1/s1
• InChIKey: QLSXTAKLCDGTLR-QLUWDBCNSA-N

Properties

• Density: 1.765g/cm³ (Cal.)
• Boiling point: 1523.45°C at 760 mmHg (Cal.)
• Flash point: 875.151°C (Cal.)
• Refractive index: 1.677 (Cal.)