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Molecule
Kanamycin B
CAS: 4696-76-8 · C18H37N5O10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4696-76-8
- Molecular Formula
- C18H37N5O10
- Molecular Mass
- 483.52 g/mol
Identifiers
CAS Registry Number
4696-76-8
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@@H](O)[C@@H]1O
InChI Key
SKKLOUVUUNMCJE-FQSMHNGLSA-N
InChI
InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
Names and Synonyms
- Kanamycin B Common Name
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy- Synonym
- Kanamycin B Synonym
- O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-D-streptamine Synonym
- Kanendomycin Synonym
- Aminodeoxykanamycin Synonym
- 2′-Amino-2′-deoxykanamycin Synonym
- Bekanamycin Synonym
- KDM Synonym
- NK 1006 Synonym
- Nebramycin V Synonym
- Nebramycin factor 5 Synonym
- Beckanamycin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 483.52 g/mol | CAS Common Chemistry |
| 483.5190000000002 g/mol | RDKit | |
| 483.519 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2C(O)C(OC3OC(CN)C(O)C(O)C3N)C(N)CC2N)C(O)C(N)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SKKLOUVUUNMCJE-FQSMHNGLSA-N | CAS Common Chemistry |
| Melting Point | 178-182 °C (decomp) | CAS Common Chemistry |
| Name | Kanamycin B | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 15 | RDKit |
| Hydrogen Bond Donors | 11 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 288.4000000000001 Ų | RDKit |
| 288.4 Ų | RDKit | |
| LogP | -7.325000000000009 | RDKit |
| -7.325 | RDKit | |
| Molar Refractivity | 109.76080000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 483.25404238400006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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 = 483.52 g/mol. Edit any field — others recompute live.
