Molecule ID: 71464568

IUPAC Name: [(1S,2R,3S,4S,5R)-5-azaniumyl-2-[(2R,3R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-5-hydroxyoxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-azaniumyl-6-(carbamoyloxymethyl)-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]azanium

Description: The molecule is an organic cation obtained by protonation of the five amino groups of nebramycin 5'. It is an ammonium ion derivative and an organic cation. It derives from a tobramycin(5+). It is a conjugate acid of a nebramycin 5'.

SMILES: N=C(O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)C[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O

SELFIES: [N][=C][Branch1][C][O][O][C][C@H1][O][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][C][O][C@H1][O][C@H1][Branch1][Ring1][C][NH3+1][C@@H1][Branch1][C][O][C][C@H1][Ring1][=Branch2][NH3+1][C@@H1][Branch1][C][NH3+1][C][C@H1][Ring2][Ring1][Ring1][NH3+1][C@H1][Branch1][C][O][C@@H1][Branch1][C][NH3+1][C@@H1][Ring2][Ring1][=N][O]

InChI: InChI=1S/C19H38N6O10/c20-3-9-8(26)2-7(23)17(32-9)34-15-5(21)1-6(22)16(14(15)29)35-18-13(28)11(24)12(27)10(33-18)4-31-19(25)30/h5-18,26-29H,1-4,20-24H2,(H2,25,30)/p+5/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 308.0 Ų
- LogP: -6.8