Structure Database (LMSD)

Common Name
Azithromycin
Systematic Name
Synonyms
LM ID
LMPK04000013
Status
Active
Exact Mass
Calculate m/z
748.508528
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
MQTOSJVFKKJCRP-OHJWJPDZSA-N
InChi (Click to copy)
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@@](O)(C)C[C@@H](C)CN(C)[C@H](C)[C@H]([C@@](O)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@](C)(OC)C2)C)C1C)O)O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1O)C

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 3
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 753.72
Topological Polar Surface Area 186.29
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 14
logP 6.48
Molar Refractivity 202.35

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Created at
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Updated at
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