ERYTHROMYCIN C

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9X2R375YNZ
EPA CompTox DTXSID501317437

Structure

InChI Key MWFRKHPRXPSWNT-QNPWSHAKSA-N
Smiles CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI
InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H65N1O13
Molecular Weight 719.45
AlogP 1.13
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 204.91
Heavy Atoms 50.0

Cross References

Resources Reference
CAS NUMBER 1675-02-1
NORMAN SUSDAT
FDA SRS 9X2R375YNZ
PubChem 83933
ChemSpider 75735.0
CONTENTS