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Molecule
Kanamycin A
CAS: 59-01-8 · C18H36N4O11
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-01-8
- Molecular Formula
- C18H36N4O11
- Molecular Mass
- 484.50 g/mol
Identifiers
CAS Registry Number
59-01-8
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](O)[C@@H](O)[C@@H]1O
InChI Key
SBUJHOSQTJFQJX-NOAMYHISSA-N
InChI
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
Names and Synonyms
- Kanamycin A Common Name
- Kanamycin Synonym
- Kanacin Synonym
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy- Synonym
- Kanamycin A Synonym
- O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-D-streptamine Synonym
- 4,6-Diamino-2-hydroxy-1,3-cyclohexane 3,6′-diamino-3,6′-dideoxydi-α-D-glucoside Synonym
- KM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 484.50 g/mol | CAS Common Chemistry |
| 484.50300000000016 g/mol | RDKit | |
| 484.503 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2C(O)C(OC3OC(CN)C(O)C(O)C3O)C(N)CC2N)C(O)C(N)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SBUJHOSQTJFQJX-NOAMYHISSA-N | CAS Common Chemistry |
| Name | Kanamycin A | 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 | 282.61000000000007 Ų | RDKit |
| 282.61 Ų | RDKit | |
| LogP | -7.2914000000000065 | RDKit |
| -7.2914 | RDKit | |
| Molar Refractivity | 107.79220000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 484.238057972 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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| 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 = 484.50 g/mol. Edit any field — others recompute live.
