(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-2-Acetamido-6-[(2R,4S,5R,6R)-5-Acetamido-2-Carboxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxan-2-Yl]Oxy-4,5-Dihydroxy-1-Oxo-Hexan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 71764-07-3]

Identification

• Name: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-2-Acetamido-6-[(2R,4S,5R,6R)-5-Acetamido-2-Carboxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxan-2-Yl]Oxy-4,5-Dihydroxy-1-Oxo-Hexan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(1R,2S,3R)-4-[(2R,4S,5R,6R)-5-Acetamido-2-Carboxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Yl]Oxy-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-2,3-Dihydroxy-Butoxy]-3,5-Dihydroxy-6-(Hydroxymethyl)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,3R,4S,5S,6R)-2-[(1R,2S,3R)-4-[[(2R,4S,5R,6R)-5-Acetamido-2-Carboxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyranyl]Oxy]-1-[(1R)-1-Acetamido-2-Oxoethyl]-2,3-Dihydroxybutoxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(1R,2S,3R)-4-[(2R,4S,5R,6R)-5-Acetamido-2-Carboxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Yl]Oxy-1-[(1R)-1-Acetamido-2-Keto-Ethyl]-2,3-Dihydroxy-Butoxy]-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₃₆H₅₉N₃O₂₇
• Molecular Weight: 965.87
• CAS Registry Number: 71764-07-3
• SMILES: [C@]1(O[C@H]([C@H](NC(=O)C)[C@@H](O)C1)[C@H](O)[C@H](O)CO)(O[C@@H]3[C@@H](O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(=O)O)[C@@H](NC(=O)C)C=O)O[C@@H]([C@@H]3O)CO)C(=O)O
• InChI: 1S/C36H59N3O27/c1-11(44)37-14(6-40)28(25(54)19(51)10-61-35(33(57)58)4-15(47)21(38-12(2)45)29(64-35)23(52)17(49)7-41)63-32-27(56)31(26(55)20(9-43)62-32)66-36(34(59)60)5-16(48)22(39-13(3)46)30(65-36)24(53)18(50)8-42/h6,14-32,41-43,47-56H,4-5,7-10H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,57,58)(H,59,60)/t14-,15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-,35+,36-/m0/s1
• InChIKey: SKJCZIMWAATHMG-CZYIXMLQSA-N

Properties

• Density: 1.703g/cm³ (Cal.)
• Boiling point: 1464.748°C at 760 mmHg (Cal.)
• Flash point: 839.649°C (Cal.)