Vancomycin hydrochloride, Molecular Biology Grade
(1S,2R,18R,22S,25R,28R,40R)-48-[(2R,3S,4R,5R,6S)-3-[(2R,4R,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;hydrochloride
Also Known As: Vancoled, Vancomycin HCL, Vancomycine, Vancocin HCL, AeroVanc, VANCOR, Vancocin hydrochloride, Vancocine hydrochloride, VANCOMYCIN, VANCOMYCIN HYDROCHLORIDE, Vancomycin, hydrochloride, Vancomycin monohydrochloride, VINLEUROSINE SULFATE, Vancomycin, monohydrochloride, Vancomycin hydrochloride [USAN]
| Molecular Formula | C66H76Cl3N9O24 |
|---|---|
| Molecular Weight | 1483.4069 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 530.49 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 13 |
| Exact Mass | 1483.4069 |
| Heavy Atoms | 102 |
| Complexity | 4079 |
Chemical Identifiers
| CAS Number | 1404-93-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@](C[C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl |
Product Overview
Vancomycin hydrochloride, Molecular Biology Grade (CAS 1404-93-9), with molecular formula C66H76Cl3N9O24 and molecular weight 1483.4069 g/mol. IUPAC: (1S,2R,18R,22S,25R,28R,40R)-48-[(2R,3S,4R,5R,6S)-3-[(2R,4R,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;hydrochloride.
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