UIO

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol



Chemical Component Summary

Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol
Identifiers(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-[6-[[4-(2-morpholin-4-ylpyrimidin-4-yl)-2-nitro-phenyl]amino]hexyl]piperidine-3,4,5-triol
FormulaC26 H38 N6 O7
Molecular Weight546.616
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1c2ccnc(n2)N3CCOCC3)[N+](=O)[O-])NCCCCCCN4C[C@@H]([C@H]([C@@H]([C@H]4CO)O)O)O
InChIInChI=1S/C26H38N6O7/c33-17-22-24(35)25(36)23(34)16-31(22)10-4-2-1-3-8-27-20-6-5-18(15-21(20)32(37)38)19-7-9-28-26(29-19)30-11-13-39-14-12-30/h5-7,9,15,22-25,27,33-36H,1-4,8,10-14,16-17H2/t22-,23+,24-,25-/m1/s1
InChIKeyIKJZFVDMSJZYQQ-ZFFYZDHPSA-N

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count4
Bond Count80
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 166625074