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Molecule
Amiglyde V
CAS: 39831-55-5 · C22H45N5O17S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 39831-55-5
- Molecular Formula
- C22H45N5O17S
- Molecular Mass
- 683.69 g/mol
Identifiers
CAS Registry Number
39831-55-5
SMILES
NCC[C@H](O)C(O)=N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O
InChI Key
HIBICIOPDUTNRR-XTHCGPPUSA-N
InChI
InChI=1S/C22H43N5O13.H2O4S/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21;1-5(2,3)4/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;/m0./s1
Names and Synonyms
- Amiglyde V Synonym
- Amika Synonym
- Grasil Synonym
- Amikacin Sulfate Synonym
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-, sulfate (1:2) Synonym
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, sulfate (1:2) (salt) Synonym
- D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[6-amino-6-deoxy-α-D-glucopyranosyl-(1→4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-, sulfate (1:2) (salt) Synonym
- Antibiotic BB-K 8 sulfate Synonym
- Amikacin sulfate Synonym
- Biklin Synonym
- Amikin Synonym
- Amikacin disulfate Synonym
- Biodacyn Synonym
- Selemycin Synonym
- Amiklin Synonym
- Fabianol Synonym
- Amikavet Synonym
- Pierami Synonym
- Mikavir Synonym
- Kaminax Synonym
- Novamin Synonym
- Biodacyna Synonym
- Arikayce liposomal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 683.69 g/mol | CAS Common Chemistry |
| 683.6870000000004 g/mol | RDKit | |
| 683.687 g/mol | RDKit | |
| 683.68 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O)C(O)CCN.O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C22H43N5O13.H2O4S/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21;1-5(2,3)4/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HIBICIOPDUTNRR-XTHCGPPUSA-N | CAS Common Chemistry |
| Name | Amikacin sulfate | CAS Common Chemistry |
| Heavy Atom Count | 45 | RDKit |
| Hydrogen Bond Acceptors | 19 | RDKit |
| Hydrogen Bond Donors | 15 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 410.03 Ų | RDKit |
| 442.03 Ų | chempirical lib | |
| LogP | -8.236700000000015 | RDKit |
| -8.2367 | RDKit | |
| Molar Refractivity | 147.5242 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9545 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 683.25311598 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 683.69 g/mol. Edit any field — others recompute live.
