N-[1,3-Bis[[(2R,3R,4R,5S)-1,2,4,5-Tetrahydroxy-6-Oxohexan-3-Yl]Oxy]Propan-2-Yl]-4-[3-(Trifluoromethyl)Diazirin-3-Yl]Benzamide
[CAS# 129461-18-3]

Identification

• Name: N-[1,3-Bis[[(2R,3R,4R,5S)-1,2,4,5-Tetrahydroxy-6-Oxohexan-3-Yl]Oxy]Propan-2-Yl]-4-[3-(Trifluoromethyl)Diazirin-3-Yl]Benzamide
• Synonyms: N-[2-[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxo-Butoxy]-1-[[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxo-Butoxy]Methyl]Ethyl]-4-[3-(Trifluoromethyl)Diazirin-3-Yl]Benzamide; N-[2-[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxobutoxy]-1-[[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxobutoxy]Methyl]Ethyl]-4-[3-(Trifluoromethyl)-3-Diazirinyl]Benzamide; N-[2-[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Keto-Butoxy]-1-[[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Keto-Butoxy]Methyl]Ethyl]-4-[3-(Trifluoromethyl)Diazirin-3-Yl]Benzamide
• Molecular Formula: C₂₄H₃₂F₃N₃O₁₃
• Molecular Weight: 627.52
• CAS Registry Number: 129461-18-3
• SMILES: [C@@H]([C@@H]([C@@H](C=O)O)O)(OCC(NC(C2=CC=C(C1(N=N1)C(F)(F)F)C=C2)=O)CO[C@@H]([C@@H]([C@@H](C=O)O)O)[C@H](O)CO)[C@H](O)CO
• InChI: 1S/C24H32F3N3O13/c25-24(26,27)23(29-30-23)12-3-1-11(2-4-12)22(41)28-13(9-42-20(16(37)7-33)18(39)14(35)5-31)10-43-21(17(38)8-34)19(40)15(36)6-32/h1-6,13-21,33-40H,7-10H2,(H,28,41)/t14-,15-,16-,17-,18-,19-,20-,21-/m1/s1
• InChIKey: BNNTXNQYYMQOJE-SHFKJJOWSA-N

Properties

• Density: 1.662g/cm³ (Cal.)