Mupirocin calcium

calcium bis(9-[4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate)

Also Known As: Mupirocin calcium

Molecular Formula	C52H86CaO18
Molecular Weight	1038.5441 g/mol
LogP	2.13
Topological Polar Surface Area	297.76 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	18
Rotatable Bonds	32
Exact Mass	1038.5441
Heavy Atoms	71
Complexity	1508.2

Chemical Identifiers

CAS Number	115074-43-6
SMILES	C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)[C@H](C)O.C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)[C@H](C)O.[Ca+2]