2''-Amino-5,2''-dideoxyarbekacin
Basic information
- CAS
147920-23-8- Standard SMILES
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)C[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1N- InChIKey
FSFLZIYCLPIOMU-JVEZQEQYSA-N- Molecular formula
- C22H45N7O8
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.33296142
Names & identifiers
- Preferred name
- 2''-Amino-5,2''-dideoxyarbekacin
- IUPAC
- (2S)-4-amino-N-[(1R,2R,4S,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5S,6R)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]-2-hydroxybutanamide
Names & synonyms
2''-Amino-5,2''-dideoxyarbekacin147920-23-8D-Streptamine, O-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2,5-dideoxy-, (S)-DTXSID20163843RefChem:241034DTXCID1086334(2S)-4-Amino-N-{(1R,2R,4S,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]cyclohexyl}-2-hydroxybutanamide
Database identifiers
- CAS
147920-23-8- PubChem CID
- 3073282
- DTXSID
DTXSID20163843- Nikkaji
- J534.430A
Properties
Computed structural properties
- XLogP
- -6
- Topological polar surface area
- 283 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 727
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Compound notes
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