Structure Database (LMSD)

O O O N OH O HO OH O O O O HO O
Common Name
Clarithromycin
Systematic Name
Synonyms
LM ID
LMPK04000014
Formula
C38H69NO13
Exact Mass
Calculate m/z
747.476894
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
AGOYDEPGAOXOCK-KCBOHYOISA-N
InChi (Click to copy)
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
SMILES (Click to copy)
[C@@H]1(O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@@H]([C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]1(C)OC)CC)O[C@@H]1O[C@H]([C@H](O)[C@](C)(OC)C1)C

References

Other Databases

Wikipedia
Clarithromycin
KEGG ID
C06912
HMDB ID
HMDB0015342
CHEBI ID
3732
PubChem CID
84029
Cayman ID
19455
PDB ID
CTY
GuidePharm ID
10903

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 3
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 748.87
Topological Polar Surface Area 189.12
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 14
logP 6.45
Molar Refractivity 198.22

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Created at
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Updated at
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