(2S,3S,4R,5S)-5-Acetamido-3-[(3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-[4-[(2,2,2-Trifluoroacetyl)Amino]Phenoxy]Oxane-2-Carboxylic Acid
[CAS# 140686-60-8]

Identification

• Name: (2S,3S,4R,5S)-5-Acetamido-3-[(3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-[4-[(2,2,2-Trifluoroacetyl)Amino]Phenoxy]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4R,5S)-5-Acetamido-3-[(3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-[4-[(2,2,2-Trifluoroacetyl)Amino]Phenoxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4R,5S)-5-Acetamido-3-[[(3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-[4-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Phenoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4R,5S)-5-Acetamido-3-[(3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-[4-[(2,2,2-Trifluoroacetyl)Amino]Phenoxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₄H₃₀F₃N₃O₁₃
• Molecular Weight: 625.51
• CAS Registry Number: 140686-60-8
• SMILES: [C@H]2(C(OC1=CC=C(C=C1)NC(C(F)(F)F)=O)O[C@@H]([C@H]([C@@H]2O)OC3[C@@H]([C@@H](O)[C@H](O)[C@H](O3)CO)NC(C)=O)C(=O)O)NC(C)=O
• InChI: 1S/C24H30F3N3O13/c1-8(32)28-13-16(35)15(34)12(7-31)41-22(13)42-18-17(36)14(29-9(2)33)21(43-19(18)20(37)38)40-11-5-3-10(4-6-11)30-23(39)24(25,26)27/h3-6,12-19,21-22,31,34-36H,7H2,1-2H3,(H,28,32)(H,29,33)(H,30,39)(H,37,38)/t12-,13-,14+,15-,16-,17-,18+,19+,21?,22?/m1/s1
• InChIKey: TVBAJMBZMHWBCP-SKJNJHBWSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 1008.328°C at 760 mmHg (Cal.)
• Flash point: 563.617°C (Cal.)