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(1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol


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Chemical Component Summary

Name(1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Identifiers(1~{S},2~{S},3~{R},4~{S},5~{S})-5-[6-[(4-azido-2-nitro-phenyl)amino]hexylamino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
FormulaC19 H30 N6 O7
Molecular Weight454.478
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O
InChIInChI=1S/C19H30N6O7/c20-24-23-12-5-6-13(15(9-12)25(31)32)21-7-3-1-2-4-8-22-14-10-19(30,11-26)18(29)17(28)16(14)27/h5-6,9,14,16-18,21-22,26-30H,1-4,7-8,10-11H2/t14-,16-,17+,18-,19-/m0/s1
InChIKeyLQGVNQLERZVIBK-UJCHZGTJSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count5
Bond Count63
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 157049323