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)-, hydrochloride (1:?)
Basic information
- CAS
6533-54-6- 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](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.Cl- InChIKey
XGAKTAXPHNYSTK-RMIBZTJPSA-N- Molecular formula
- C21H42ClN7O12
- Average molar mass
- 620 g/mol
- Monoisotopic mass
- 619.25799746
Names & identifiers
- Preferred name
- 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)-, hydrochloride (1:?)
- 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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;hydrochloride
Names & synonyms
Dihydrostreptomycin hydrochlorideDTXSID302219887177-56-2RefChem:1082924DTXCID60144479D-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)-, hydrochloride (1:?)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--hydrogen chloride (1/1)
Database identifiers
- CAS
6533-54-6、7177-56-2、884483-17-4- PubChem CID
- 201950
- DTXSID
DTXSID30221988
Properties
Computed structural properties
- Topological polar surface area
- 340 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 911
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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