(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5R)-5-Acetamido-1,2,4-Trihydroxy-6-Oxohexan-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 125366-24-7]

Identification

• Name: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5R)-5-Acetamido-1,2,4-Trihydroxy-6-Oxohexan-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,3S,4S,5S,6S)-6-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxo-Butoxy]-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,3S,4S,5S,6S)-6-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxobutoxy]-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,3S,4S,5S,6S)-6-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Keto-Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₅H₄₂N₂O₁₉
• Molecular Weight: 674.61
• CAS Registry Number: 125366-24-7
• SMILES: [C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(C)=O)O)(OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O[C@@H]([C@@H]([C@@H](NC(C)=O)C=O)O)[C@@H](CO)O)O2)O)O)O)C(O)=O
• InChI: 1S/C25H42N2O19/c1-8(31)26-10(4-28)16(36)21(13(35)6-30)45-23-20(40)19(39)18(38)14(44-23)7-43-25(24(41)42)3-11(33)15(27-9(2)32)22(46-25)17(37)12(34)5-29/h4,10-23,29-30,33-40H,3,5-7H2,1-2H3,(H,26,31)(H,27,32)(H,41,42)/t10-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23-,25+/m0/s1
• InChIKey: OWSNEDGPBHBCDR-RZCOEOHRSA-N

Properties

• Density: 1.663g/cm³ (Cal.)
• Boiling point: 1196.708°C at 760 mmHg (Cal.)
• Flash point: 677.545°C (Cal.)