Erythromycin, cyclic 11,12-carbonate, L-glutamate (1:1)
(2S)-2-aminopentanedioic acid;(1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione
Also Known As: Erythromycin A 11,12-carbonate L-glutamate|KST-1A6662|Erythromycin, cyclic 11,12-carbonate, L-glutamate (1:1)|(2s)-2-aminopentanedioic acid-(3ar,4r,7r,8s,9s,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-ethyl-11-hydroxy-8-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-3a,7,9,11,13,15-hexamethyloctahydro-4h-[1,3]dioxolo[4,5-c]oxacyclotetradecine-2,6,14(3ah,7h)-trione(1:1)(non-preferred name)|(2S)-2-aminopentanedioic acid; (1R,2R,4R,6R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-3,11,16-trione
| Molecular Formula | C43H74N2O18 |
|---|---|
| Molecular Weight | 906.49365 g/mol |
| LogP | 2.23 |
| Topological Polar Surface Area | 289.6 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 906.49365 |
| Heavy Atoms | 63 |
| Complexity | 1581.5 |
Chemical Identifiers
| CAS Number | 60934-27-2 |
|---|---|
| SMILES | CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@](C([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C.C(CC(=O)O)[C@@H](C(=O)O)N |
Product Overview
Erythromycin, cyclic 11,12-carbonate, L-glutamate (1:1) (CAS 60934-27-2), with molecular formula C43H74N2O18 and molecular weight 906.49365 g/mol. IUPAC: (2S)-2-aminopentanedioic acid;(1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione.
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