(2S,3R,5R)-4-[2-(5-Fluoro-2,4-dinitrophenyl)-3-[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxypropoxy]-2,3,5,6-tetrahydroxyhexanal
[CAS# 96602-47-0]

Identification

• Name: (2S,3R,5R)-4-[2-(5-Fluoro-2,4-dinitrophenyl)-3-[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxypropoxy]-2,3,5,6-tetrahydroxyhexanal
• Synonyms: (2S,3R,5R)-4-[3-[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxo-Butoxy]-2-(5-Fluoro-2,4-Dinitro-Phenyl)Propoxy]-2,3,5,6-Tetrahydroxy-Hexanal; (2S,3R,5R)-4-[3-[(1R,2R,3S)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxobutoxy]-2-(5-Fluoro-2,4-Din
• Molecular Formula: C₂₁H₂₉FN₂O₁₆
• Molecular Weight: 584.46
• CAS Registry Number: 96602-47-0
• SMILES: [C@H](OCC(C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C1)F)COC([C@H](O)[C@H](O)C=O)[C@H](O)CO)([C@H](O)[C@H](O)C=O)[C@H](O)CO
• InChI: 1S/C21H29FN2O16/c22-11-1-10(12(23(35)36)2-13(11)24(37)38)9(7-39-20(16(31)5-27)18(33)14(29)3-25)8-40-21(17(32)6-28)19(34)15(30)4-26/h1-4,9,14-21,27-34H,5-8H2/t9?,14-,15-,16-,17-,18-,19-,20-,21?/m1/s1
• InChIKey: NBPXLFWCUXZOQY-SSPONITESA-N