(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-Pent-4-Enoxyoxan-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 151960-90-6]

Identification

• Name: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-Pent-4-Enoxyoxan-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-Pent-4-Enoxy-Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6R)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-Pent-4-Enoxy-3-Tetrahydropyranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-4-Hydroxy-2-Methylol-6-Pent-4-Enoxy-Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₃₀H₅₀N₂O₁₉
• Molecular Weight: 742.73
• CAS Registry Number: 151960-90-6
• SMILES: [C@H]1(O)[C@@H](O[C@@H]([C@H](O)[C@@H]1O)CO[C@]2(O[C@H]([C@H](NC(=O)C)[C@H](C2)O)[C@@H]([C@@H](CO)O)O)C(=O)O)O[C@H]3[C@@H]([C@H]([C@H](OCCCC=C)O[C@@H]3CO)NC(=O)C)O
• InChI: 1S/C30H50N2O19/c1-4-5-6-7-46-27-19(32-13(3)36)22(41)25(16(10-34)48-27)50-28-24(43)23(42)21(40)17(49-28)11-47-30(29(44)45)8-14(37)18(31-12(2)35)26(51-30)20(39)15(38)9-33/h4,14-28,33-34,37-43H,1,5-11H2,2-3H3,(H,31,35)(H,32,36)(H,44,45)/t14-,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-,30+/m0/s1
• InChIKey: VYHCOUNBABWLRQ-JQFNGPIQSA-N

Properties

• Density: 1.545g/cm³ (Cal.)
• Boiling point: 1135.591°C at 760 mmHg (Cal.)
• Flash point: 640.582°C (Cal.)