4-Trifluoroacetamidophenyl-1-O-Glucopyranosylribitol-1'-Phosphate
[CAS# 118349-78-3]

Identification

• Name: 4-Trifluoroacetamidophenyl-1-O-Glucopyranosylribitol-1'-Phosphate
• Synonyms: [(2R,3S,4S)-5-[(2R,3R,4S,5R,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-[4-[(2,2,2-Trifluoroacetyl)Amino]Phenoxy]Tetrahydropyran-4-Yl]Oxy-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-[[(2R,3R,4S,5R,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-[4-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Phenoxy]-4-Tetrahydropyranyl]Oxy]-2,3,4-Trihydroxypentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-[(2R,3R,4S,5R,6S)-3,5-Dihydroxy-2-Methylol-6-[4-[(2,2,2-Trifluoroacetyl)Amino]Phenoxy]Tetrahydropyran-4-Yl]Oxy-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate
• Molecular Formula: C₁₉H₂₇F₃NO₁₄P
• Molecular Weight: 581.39
• CAS Registry Number: 118349-78-3
• SMILES: [C@@H](CO[C@@H]2[C@H]([C@H](OC1=CC=C(NC(C(F)(F)F)=O)C=C1)O[C@@H]([C@H]2O)CO)O)(O)[C@H](O)[C@H](O)CO[P](=O)(O)O
• InChI: 1S/C19H27F3NO14P/c20-19(21,22)18(30)23-8-1-3-9(4-2-8)36-17-15(29)16(14(28)12(5-24)37-17)34-6-10(25)13(27)11(26)7-35-38(31,32)33/h1-4,10-17,24-29H,5-7H2,(H,23,30)(H2,31,32,33)/t10-,11+,12+,13-,14+,15+,16-,17+/m0/s1
• InChIKey: LQRYUTMXHQQGOQ-DVWQOSOJSA-N

Properties

• Density: 1.729g/cm³ (Cal.)