Antibiotic A-31438

4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Also Known As: ANTIBIOTIC A-31438|Erythromycin Impurity 52|3-O-alpha-L-mycarosylerythronolide B|NCI60_001758|A 31438|4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione|4-((4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione|4-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione|4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Molecular Formula	C28H50O10
Molecular Weight	546.3404 g/mol
LogP	1.9
Topological Polar Surface Area	163.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	546.3404
Monoisotopic Mass	546.3404
Heavy Atoms	38
Complexity	821.0

Chemical Identifiers

CAS Number	34698-88-9
SMILES	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C
InChIKey	WWWXDCNRNMZGEN-UHFFFAOYSA-N