N-[4-[2-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyethyl]Phenyl]-2,2,2-Trifluoroacetamide
[CAS# 139886-73-0]

Identification

• Name: N-[4-[2-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyethyl]Phenyl]-2,2,2-Trifluoroacetamide
• Synonyms: N-[4-[2-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyethyl]Phenyl]-2,2,2-Trifluoro-Acetamide; N-[4-[2-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-[[(2S,3R,4R,5R,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Ethyl]Phenyl]-2,2,2-Trifluoroacetamide; N-[4-[2-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3,4-Dihydroxy-6-Methylol-5-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyethyl]Phenyl]-2,2,2-Trifluoro-Acetamide
• Molecular Formula: C₃₀H₄₃F₃N₂O₁₇
• Molecular Weight: 760.67
• CAS Registry Number: 139886-73-0
• SMILES: [C@@H]2(OCCC1=CC=C(C=C1)NC(C(F)(F)F)=O)O[C@@H]([C@H]([C@@H]([C@H]2NC(C)=O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O[C@H]4O[C@@H]([C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO
• InChI: 1S/C30H43F3N2O17/c1-11(39)34-17-19(41)24(15(9-37)49-26(17)47-7-6-12-2-4-13(5-3-12)35-29(46)30(31,32)33)51-28-23(45)21(43)25(16(10-38)50-28)52-27-22(44)20(42)18(40)14(8-36)48-27/h2-5,14-28,36-38,40-45H,6-10H2,1H3,(H,34,39)(H,35,46)/t14-,15-,16-,17-,18+,19-,20+,21-,22-,23-,24-,25+,26-,27-,28+/m1/s1
• InChIKey: JCJAEDXFONBNIP-PTPTXAFISA-N

Properties

• Density: 1.628g/cm³ (Cal.)
• Boiling point: 1032.872°C at 760 mmHg (Cal.)
• Flash point: 578.46°C (Cal.)