CAS 96602-47-0

(2S,3R,5R,2'S,3'R,4'R,5'R)-4,4'-{[2-(5-fluoro-2,4-dinitrophenyl)propane-1,3-diyl]bis(oxy)}bis(2,3,5,6-tetrahydroxyhexanal) (non-preferred name)

Description:

The chemical substance with the name "(2S,3R,5R,2'S,3'R,4'R,5'R)-4,4'-{[2-(5-fluoro-2,4-dinitrophenyl)propane-1,3-diyl]bis(oxy)}bis(2,3,5,6-tetrahydroxyhexanal)" and CAS number 96602-47-0 is a complex organic compound characterized by its multiple stereocenters and functional groups. It features a dinitrophenyl moiety, which is known for its reactivity and potential use in various chemical applications, including as a reagent in organic synthesis. The presence of tetrahydroxyhexanal units indicates that the compound has multiple hydroxyl groups, contributing to its hydrophilicity and potential for hydrogen bonding. The stereochemistry, denoted by the specific (S) and (R) configurations, suggests that the compound may exhibit specific biological activity or interactions due to its three-dimensional shape. Overall, this compound's intricate structure and functional groups may make it of interest in medicinal chemistry, particularly in the development of pharmaceuticals or as a biochemical probe.

Formula: C₂₁H₂₉FN₂O₁₆

InChI: InChI=1/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

SMILES: c1c(C(CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)COC([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)c(cc(c1F)N(=O)=O)N(=O)=O