4-N-(4-aminobenzenesulfonyl)fortimicin B
Basic information
- CAS
78609-43-5- Standard SMILES
CO[C@H]1[C@@H](O)[C@H](N)C(O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)S(=O)(=O)c1ccc(N)cc1.O=S(=O)(O)O- InChIKey
GPPOSVYMFQGHLS-KEWORRDGSA-N- Molecular formula
- C21H39N5O11S2
- Average molar mass
- 601.7 g/mol
- Monoisotopic mass
- 601.20874942
Overview
has no antibacterial activity
Names & identifiers
- Preferred name
- 4-N-(4-aminobenzenesulfonyl)fortimicin B
- IUPAC
- 4-amino-N-[(1S,2R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylbenzenesulfonamide;sulfuric acid
Names & synonyms
Abs-fortimicin B4-N-(p-Aminobenzenesulfonyl)fortimicin B4-N-(4-Aminobenzenesulfonyl)fortimicin BRefChem:9999778609-43-5L-chiro-Inositol, 4-amino-1-(((4-aminophenyl)sulfonyl)methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-, sulfate (1:1) (salt)
Database identifiers
- CAS
78609-43-5- PubChem CID
- 129010917
Properties
Computed structural properties
- Topological polar surface area
- 301 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 844
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Related reactions
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Compound notes
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