(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,4,5-Trihydroxy-Oxan-2-Yl]Methoxy]-4-Hydroxy-6-[(1S,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 64364-50-7]

Identification

• Name: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,4,5-Trihydroxy-Oxan-2-Yl]Methoxy]-4-Hydroxy-6-[(1S,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-4,6-Dihydroxy-2-(Hydroxymethyl)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-4,6-Dihydroxy-2-(Hydroxymethyl)-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-4,6-Dihydroxy-2-Methylol-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: C₂₅H₄₂N₂O₁₉
• Molecular Weight: 674.61
• CAS Registry Number: 64364-50-7
• SMILES: [C@H]3(O[C@](OC[C@H]2O[C@@H](O[C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@H](O)[C@@H](O)[C@H]2O)(C[C@H](O)[C@H]3NC(=O)C)C(=O)O)[C@H](O)[C@H](O)CO
• InChI: 1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1
• InChIKey: RPSBVJXBTXEJJG-LURNZOHQSA-N

Properties

• Density: 1.701g/cm³ (Cal.)
• Boiling point: 1192.446°C at 760 mmHg (Cal.)
• Flash point: 674.967°C (Cal.)