(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2S)-2-Amino-3-Hydroxy-3-Oxopropoxy]-3,4-Dihydroxyoxan-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 114661-01-7]

Identification

• Name: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2S)-2-Amino-3-Hydroxy-3-Oxopropoxy]-3,4-Dihydroxyoxan-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,4R,5R,6S)-5-Acetamido-6-[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propoxy]-3,4-Dihydroxy-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,4R,5R,6S)-5-Acetamido-6-[(2S)-2-Amino-3-Hydroxy-3-Oxopropoxy]-3,4-Dihydroxy-2-Tetrahydropyranyl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-6-[(2S)-2-Amino-3-Hydroxy-3-Keto-Propoxy]-3,4-Dihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₂H₃₇N₃O₁₆
• Molecular Weight: 599.54
• CAS Registry Number: 114661-01-7
• SMILES: [C@@H]1(NC(C)=O)[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(O)=O)N)CO[C@]2(O[C@H]([C@@H]([C@H](C2)O)NC(C)=O)[C@@H]([C@@H](CO)O)O)C(O)=O)O)O
• InChI: 1S/C22H37N3O16/c1-7(27)24-13-10(29)3-22(21(36)37,41-18(13)15(31)11(30)4-26)39-6-12-16(32)17(33)14(25-8(2)28)20(40-12)38-5-9(23)19(34)35/h9-18,20,26,29-33H,3-6,23H2,1-2H3,(H,24,27)(H,25,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16-,17+,18+,20-,22+/m0/s1
• InChIKey: RMINQIRDFIBNLE-NNRWGFCXSA-N

Properties

• Density: 1.632g/cm³ (Cal.)
• Boiling point: 1114.274°C at 760 mmHg (Cal.)
• Flash point: 627.69°C (Cal.)