Basic information
- CAS
547-92-2- Standard SMILES
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](CO)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.Cl.Cl.Cl- InChIKey
DGJPFIIVYLFPSK-CZDSEFAFSA-N- Molecular formula
- C21H42Cl3N7O13
- Average molar mass
- 707 g/mol
- Monoisotopic mass
- 705.19061744
Names & identifiers
- Preferred name
- Hydroxystreptomycin trihydrochloride
- IUPAC
- 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-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;trihydrochloride
Names & synonyms
Hydroxystreptomycin trihydrochlorideHydroxystreptomycin HCl95U80RQ8AF547-92-2DTXSID60203156UNII-95U80RQ8AFHYDROXYSTREPTOMYCIN TRIHYDROCHLORIDE [MI]Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-diamidino-, trihydrochlorideRefChem:147281DTXCID60125647Q27271820D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-3-C-FORMYL-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N,N'-BIS(AMINOIMINOMETHYL)-, TRIHYDROCHLORIDE
Show more names
N'',N'''-[(1R,2R,3S,4R,5R,6S)-4-({2-O-[2-Deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine--hydrogen chloride (1/3)
Database identifiers
- CAS
547-92-2- PubChem CID
- 200142
Properties
Computed structural properties
- Topological polar surface area
- 357 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 957
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…