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Molecule
Amikacin
CAS: 37517-28-5 · C22H43N5O13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 37517-28-5
- Molecular Formula
- C22H43N5O13
- Molecular Mass
- 585.61 g/mol
Identifiers
CAS Registry Number
37517-28-5
SMILES
NCC[C@H](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]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
InChI Key
LKCWBDHBTVXHDL-RMDFUYIESA-N
InChI
InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
Names and Synonyms
- Amikacin Common Name
- Amicacin Synonym
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy- Synonym
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)- Synonym
- O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-D-streptamine Synonym
- 1-N-[L-(-)-γ-Amino-α-hydroxybutyryl]kanamycin A Synonym
- Amikacin Synonym
- Antibiotic BB-K 8 Synonym
- BB-K 8 Synonym
- Amikacillin Synonym
- Lukadin Synonym
- Amukin Synonym
- Arikace Synonym
- Potentox Synonym
- BAY 41-6551 Synonym
- BAY 416651 Synonym
- Amikozit Synonym
- Amigasol Synonym
- Arikayce Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 585.61 g/mol | CAS Common Chemistry |
| 585.6080000000002 g/mol | RDKit | |
| 585.608 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O)C(O)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LKCWBDHBTVXHDL-RMDFUYIESA-N | CAS Common Chemistry |
| Melting Point | 203-204 °C | CAS Common Chemistry |
| Name | Amikacin | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 17 | RDKit |
| Hydrogen Bond Donors | 13 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 335.42999999999995 Ų | RDKit |
| 335.43 Ų | RDKit | |
| LogP | -7.583900000000006 | RDKit |
| -7.5839 | RDKit | |
| Molar Refractivity | 133.34680000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9545 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 585.2857364359998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 585.61 g/mol. Edit any field — others recompute live.
