ERYTHROMYCIN PROPIONATE

Search structure
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HB75CIT999

Structure
InChI Key TYQXKHPOXXXCTP-CSLYCKPJSA-N
Smile CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
InChI
InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H71NO14
Molecular Weight 790.0
AlogP 2.75
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 199.98
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 55.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 48913
ChEMBL CHEMBL2220427
DrugCentral 1052
EPA CompTox DTXSID9022994
FDA SRS HB75CIT999
PubChem 71277
SureChEMBL SCHEMBL153012
ZINC ZINC000087496183
CONTENTS