XOD

(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol



Chemical Component Summary

Name(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol
Identifiers(1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[(2-nitro-4-pyrimidin-2-yl-phenyl)amino]hexylamino]cyclohexane-1,2,3,4-tetrol
FormulaC23 H33 N5 O7
Molecular Weight491.537
TypeNON-POLYMER
Isomeric SMILESc1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O
InChIInChI=1S/C23H33N5O7/c29-14-23(33)13-17(19(30)20(31)21(23)32)25-9-4-2-1-3-8-24-16-7-6-15(12-18(16)28(34)35)22-26-10-5-11-27-22/h5-7,10-12,17,19-21,24-25,29-33H,1-4,8-9,13-14H2/t17-,19-,20+,21-,23-/m0/s1
InChIKeyMZOLIRUJMQEVFZ-BYGOBXPBSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count5
Bond Count70
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 156612906