(3R,4R,5R)-2-[(1S,2S,4S,6R)-4,6-Diamino-3-[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
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CAS Number 1405-41-0
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Catalog Number io-406812
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Molecular Weight 575.7000
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SMILES CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC.OS(=O)(=O)O
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Gentamicin sulfate |
| 2 | (3R,4R,5R)-2-[(1S,2S,4S,6R)-4,6-Diamino-3-[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid |
| 3 | SR-05000001634 |
| 4 | SPECTRUM1500314 |
| 5 | HMS502H18 |
| Molecular Formula | C21H45N5O11S |
|---|---|
| Canonical SMILES | CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC.OS(=O)(=O)O |
| Isomeric SMILES | CC([C@@H]1CC[C@H]([C@H](O1)OC2[C@H](C[C@H]([C@@H]([C@H]2O)OC3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC.OS(=O)(=O)O |
| Molecular Weight | 575.7000 |
| InChIKey | NWQISSNHRDDWRM-KFSSRJMVSA-N |
| InChI | InChI=1S/C21H43N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;(H2,1,2,3,4)/t9?,10-,11+,12-,13+,14+,15-,16?,17+,18-,19-,20?,21+;/m1./s1 |
| XLogP | 0.0000 |
| ExactMass | 575.2800 |
| MonoisotopicMass | 575.2800 |
| TPSA | 283.0000 |
| Complexity | 717.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 10 |
| HBondAcceptorCount | 16 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 38 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 13 |
| DefinedAtomStereoCount | 10 |
| UndefinedAtomStereoCount | 3 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 19573 |
