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Molecule
Tobramycin
CAS: 32986-56-4 · C18H37N5O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 32986-56-4
- Molecular Formula
- C18H37N5O9
- Molecular Mass
- 467.52 g/mol
Identifiers
CAS Registry Number
32986-56-4
SMILES
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O
InChI Key
NLVFBUXFDBBNBW-PBSUHMDJSA-N
InChI
InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
Names and Synonyms
- Tobramycin Common Name
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy- Synonym
- O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-D-streptamine Synonym
- Nebramycin factor 6 Synonym
- Tobramycin Synonym
- 3′-Deoxykanamycin B Synonym
- Nebramycin 6 Synonym
- Nebramycin VI Synonym
- Deoxykanamycin B Synonym
- Tobramycetin Synonym
- Tobramicin Synonym
- Tobralex Synonym
- Tobrex Synonym
- Tobramaxin Synonym
- NF 6 Synonym
- Tobradistin Synonym
- Tobracin Synonym
- NSC 180514 Synonym
- Tobramax Synonym
- Tobrin Synonym
- Vantobra Synonym
- Tobi Podhaler Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 467.52 g/mol | CAS Common Chemistry |
| 467.5200000000002 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2C(O)C(OC3OC(CN)C(O)CC3N)C(N)CC2N)C(O)C(N)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NLVFBUXFDBBNBW-PBSUHMDJSA-N | CAS Common Chemistry |
| Melting Point | 164 °C | CAS Common Chemistry |
| Name | Tobramycin | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 14 | RDKit |
| Hydrogen Bond Donors | 10 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 268.1700000000001 Ų | RDKit |
| 268.17 Ų | RDKit | |
| LogP | -6.295800000000006 | RDKit |
| -6.2958 | RDKit | |
| Molar Refractivity | 108.37100000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 467.2591277640001 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.
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MW = 467.52 g/mol. Edit any field — others recompute live.
