Structure Database (LMSD)

Common Name
Azithromycin
Systematic Name
Synonyms
LM ID
LMPK04000013
Formula
C38H72N2O12
Exact Mass
Calculate m/z
748.508528
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

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

Other Databases

Wikipedia
Azithromycin
KEGG ID
C06838
HMDB ID
HMDB01916
PubChem CID
55185

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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