Fidaxomicin
[(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
Molecular Identity
Fidaxomicin
[(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
PubChem CID: 10034073
2D Structure
Properties
C52H74Cl2O18
Molecular Formula
1058.00
Molecular Weight
g/mol
1056.4252
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
267
TPSA
May have limited oral absorption
7
H-Bond Donors
18
H-Bond Acceptors
1970
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
FidaxomicinTiacumicin BDificid873857-62-6DificlirLipiarmicinOPT-80DifimicinPAR-101fidaxomicineFidaxomicinaZ5N076G8YQLipiarmycin A3DTXSID901016415OPT 80
Data from PubChem (NCBI)
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