Compound: Abiocine
SMILES: O1[C@@H](O[C@@H]2[C@](O)([C@H](C)O[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@H]([C@@H]3NC(=N)N)O)CO)[C@@H](NC)[C@H](O)[C@H]([C@@H]1CO)O
InChIKey: ASXBYYWOLISCLQ-HZYVHMACSA-N
Synonyms: Abiocine, Vibriomycin, DHMS, Dihydrostreptomycine, Streptomycin, dihydro-, Dihidroestreptomicina, Diidrostreptomicina, Dihydrostreptomycinum, P2I6R8W6UA, CHEBI:38291, N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine, 1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine, 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, 1,1'-((1R,2R,3S,4R,5R,6S)-4-((5-deoxy-2-O-(2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl)-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine, 2-((1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-((2R,3R,4R,5S)-3-((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl)oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl)guanidine, N,N'''-((1R,2R,3S,4R,5R,6S)-4-((5-deoxy-2-O-(2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl)-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine, RefChem:133946, DTXCID702937, S01AA15, 204-888-2, 128-46-1, Dihydrostreptomycin, DTXSID0022937, Dihydrostreptomycin (INN), DIHYDROSTREPTOMYCIN [INN], C21H41N7O12, UNII-P2I6R8W6UA, Diidrostreptomicina [DCIT], Dihydrostreptomycin [INN:BAN], Dihydrostreptomycine [INN-French], Dihydrostreptomycinum [INN-Latin], Dihidroestreptomicina [INN-Spanish], EINECS 204-888-2, NSC402956, DIHYDROSTREPTOMYCIN [MI], CHEMBL1950576, ASXBYYWOLISCLQ-HZYVHMACSA-N, DIHYDROSTREPTOMYCIN [WHO-DD], DB11512, 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl-5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-hydroxymethyl-beta-L-lyxo-pentanofuranoside, C01023, D07840, 1-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine, 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine, 71R, D-Streptamine, O-2-deoxy-2-(methylamino)-.alpha.-L-glucopyranosyl-(1->2)-O-5-deoxy-3-C-(hydroxymethyl)-.alpha.-L-lyxofuranosyl-(1->4)-N,N'-bis(aminoiminomethyl), D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-(HYDROXYMETHYL)-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N1,N3-BIS(AMINOIMINOMETHYL)-, N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-a-L-glucopyranosyl]-3-C-(hydroxymethyl)-a-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine, Streptamine, O-beta-D-mannopyranosyl-(1-4)-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-5-deoxy-O-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-diamidino-, D-
Theoretical properties:
molecular_formula: C21H41N7O12
molecular_weight: 583.6 g/mol
exact_mass: 583.28131977 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 13
hydrogen_bond_acceptor_count: 15
rotatable_bond_count: 9
heavy_atom_count: 40
topological_polar_surface_area: 340 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Dihydrostreptomycin is a member of streptomycins.
chembl: DIHYDROSTREPTOMYCIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.