Basic information
- CAS
37330-37-3- Standard SMILES
NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)C(O)[C@H]2O)[C@H]1O.O.O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
IUQWHBUMCWSQIM-OXNIXSIASA-N- Molecular formula
- C21H49N5O22S2
- Average molar mass
- 787.8 g/mol
- Monoisotopic mass
- 787.23106056
Names & identifiers
- Preferred name
- Ambutyrosin sulfate
- IUPAC
- 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid;dihydrate
Names & synonyms
BUTIROSIN DISULFATEAmbutyrosin sulfateButirosin, sulfate (salt)Butirosin sulphate anhydrousCL 642UNII-04RSK7X93NButirosin sulfate [USAN:BAN]DTXSID9095844537330-37-34-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-{[(3xi)-beta-D-erythro-pentofuranosyl]oxy}cyclohexyl]-2-hydroxybutanimidic acid--sulfuric acid--water (1/2/2)4-Amino-N-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanimidic acid--sulfuric acid--water (1/2/2)
Database identifiers
- CAS
37330-37-3、51022-98-1- PubChem CID
- 39862
- DTXSID
DTXSID90958445
Properties
Computed structural properties
- Topological polar surface area
- 480 Ų
- Hydrogen bond donors
- 18
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 853
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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