| CAS Number | 26389-84-4 |
| Catalog Number | AG00C340(AGN-PC-0R2E0A) |
| Chemical Name | 7-Epi Lincomycin Hydrochloride Salt |
| IUPAC Name | (2R)-N-[2-hydroxy-1-[(3R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9?,10?,11-,12?,13?,14-,15?,16?,18-;/m1./s1 |
| InChI Key | POUMFISTNHIPTI-NHEQCAAKSA-N |
| Molecular Formula | C18H35ClN2O6S |
| Molecular Weight | 442.9983 |
| SMILES | O[C@H]1[C@@H]([C@H](NC(C2C[C@@H](CCC)CN2C)=O)[C@](O)([H])C)O[C@H](SC)C(O)C1O.Cl |
| Synonyms | 7-Epi Lincomycin Hydrochloride Salt,
26389-84-4,
|
| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.996g/mol |
| Monoisotopic Mass | 442.19g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 148A^2 |
| Undefined Atom Stereocenter Count | 6 |
| Undefined Bond Stereocenter Count | 0 |
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