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Molecule
Kanamycin Sulfate
CAS: 25389-94-0 · C18H38N4O15S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25389-94-0
- Molecular Formula
- C18H38N4O15S
- Molecular Mass
- 582.58 g/mol
Identifiers
CAS Registry Number
25389-94-0
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.O=S(=O)(O)O
InChI Key
OOYGSFOGFJDDHP-KMCOLRRFSA-N
InChI
InChI=1S/C18H36N4O11.H2O4S/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;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1
Names and Synonyms
- Kanamycin Sulfate 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-, sulfate (1:1) Synonym
- Kanamycin, sulfate (1:1) (salt) Synonym
- Kanamycin A sulfate 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-, sulfate (1:1) (salt) Synonym
- Kanamycin sulfate Synonym
- Kanamytrex Synonym
- Kantrex Synonym
- Cantrex Synonym
- Kano Synonym
- Kanamycin monosulfate Synonym
- Kantrim Synonym
- Kanamycin A monosulfate Synonym
- Kanacedin Synonym
- Kanatrol Synonym
- Cristalomicina Synonym
- Kamycin Synonym
- Otokalixin Synonym
- Kanaqua Synonym
- Kantrexil Synonym
- Kanasig Synonym
- Kasmynex Synonym
- Kanescin Synonym
- Kannasyn Synonym
- Enterokanacin Synonym
- Klebcil Synonym
- Kanabristol Synonym
- Ophtalmokalixan Synonym
- Resistomycin Synonym
- Kanicin Synonym
- Kanachron Synonym
- Kenendomycin Synonym
- Kantrox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 582.58 g/mol | CAS Common Chemistry |
| 582.5820000000003 g/mol | RDKit | |
| 582.582 g/mol | RDKit | |
| 582.575 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O)O.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.H2O4S/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;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OOYGSFOGFJDDHP-KMCOLRRFSA-N | CAS Common Chemistry |
| Name | Kanamycin sulfate | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 17 | RDKit |
| Hydrogen Bond Donors | 13 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 357.2100000000001 Ų | RDKit |
| 357.21 Ų | RDKit | |
| 389.21 Ų | chempirical lib | |
| LogP | -7.944200000000013 | RDKit |
| -7.9442 | RDKit | |
| Molar Refractivity | 121.96960000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 582.205437516 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 |
|---|
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 = 582.58 g/mol. Edit any field — others recompute live.
