XG5

(2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol



Chemical Component Summary

Name(2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Identifiers(2~{R},3~{R},4~{R},5~{S})-1-[2-[6-[2-[(4-azido-2-nitro-phenyl)amino]ethyl]pyrazin-2-yl]ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
FormulaC20 H26 N8 O6
Molecular Weight474.47
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCc2cncc(n2)CCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O
InChIInChI=1S/C20H26N8O6/c21-26-25-12-1-2-15(16(7-12)28(33)34)23-5-3-13-8-22-9-14(24-13)4-6-27-10-18(30)20(32)19(31)17(27)11-29/h1-2,7-9,17-20,23,29-32H,3-6,10-11H2/t17-,18+,19-,20-/m1/s1
InChIKeyVRDSVTXDIGQKQB-IYWMVGAKSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count4
Bond Count62
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 166625098