UGO

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol


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Chemical Component Summary

Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol
Identifiers(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-[6-[(2-nitro-4-pyrimidin-2-yl-phenyl)amino]hexyl]piperidine-3,4,5-triol
FormulaC22 H32 N5 O6
Molecular Weight462.519
TypeNON-POLYMER
Isomeric SMILESc1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NCCCCCCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O
InChIInChI=1S/C22H32N5O6/c28-14-18-20(30)21(31)19(29)13-26(18)11-4-2-1-3-8-23-16-7-6-15(12-17(16)27(32)33)22-24-9-5-10-25-22/h5-7,9-10,12,18-21,23,28-32H,1-4,8,11,13-14H2/t18-,19+,20-,21-/m1/s1
InChIKeyWPRQGBYRQQLONQ-PLACYPQZSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count4
Bond Count67
Aromatic Bond Count12