6'-N-Acetimidoylamikacin
Basic information
- CAS
91704-94-8- Standard SMILES
CC(N)=NCC1OC(OC2C(N)CC(NC(=O)C(O)CCN)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O- InChIKey
UBABYCFDIBWBQB-UHFFFAOYSA-N- Molecular formula
- C24H46N6O13
- Average molar mass
- 626.7 g/mol
- Monoisotopic mass
- 626.31228554
Overview
synthetic antibiotic; structure given in first source
Names & identifiers
- Preferred name
- 6'-N-Acetimidoylamikacin
- IUPAC
- 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-[(1-aminoethylideneamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
- English name
- 6'-N-acetimidoylamikacin
- Molecular formula
- C24H46N6O13
- Molecular weight
- 626.65444
Names & synonyms
6'-N-Acetimidoylamikacin91704-94-8RefChem:103656D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-deoxy-6-((1-iminoethyl)amino)-alpha-D-glucopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-[(1-aminoethylideneamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamideDTXSID709195544-Amino-N-(5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-{[6-deoxy-6-(ethanimidoylamino)hexopyranosyl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanimidic acid4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-deoxy-6-ethanimidamidohexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanimidic acid
Database identifiers
- CAS
91704-94-8- PubChem CID
- 174840
- DTXSID
DTXSID70919554
Properties
Computed structural properties
- XLogP
- -8.5
- Topological polar surface area
- 344 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 938
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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