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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
Names and Synonyms:
Tobramycin
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-
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
Nebramycin factor 6
Tobramycin
3′-Deoxykanamycin B
Nebramycin 6
Nebramycin VI
Deoxykanamycin B
Tobramycetin
Tobramicin
Tobralex
Tobrex
Tobramaxin
NF 6
Tobradistin
Tobracin
NSC 180514
Tobramax
Tobrin
Vantobra
Tobi Podhaler
Identifiers:
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:
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
Key Properties
Melting Point
164 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 467.52 g/mol | CAS Common Chemistry |
| 467.5200000000002 g/mol | RDKit | |
| 467.2591277640001 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 |
| LogP | -6.295800000000006 | RDKit |
| Molar Refractivity | 108.37100000000002 | RDKit |
