Molecule ID: 70678656

IUPAC Name: [(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azaniumyl)-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Description: The molecule is an organic cation obtained by protonation of the four free amino groups and deprotonation of the phosphate OH groups of 5''-phosphoribostamycin; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It derives from a ribostamycin(4+). It is a conjugate acid of a 5''-phosphoribostamycin.

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

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

InChI: InChI=1S/C17H35N4O13P/c18-2-6-10(23)12(25)8(21)16(31-6)33-14-5(20)1-4(19)9(22)15(14)34-17-13(26)11(24)7(32-17)3-30-35(27,28)29/h4-17,22-26H,1-3,18-21H2,(H2,27,28,29)/p+2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 321.0 Ų
- LogP: -10.4