Structure Database (LMSD)

Common Name
Clarithromycin
Systematic Name
Synonyms
LM ID
LMPK04000014
Status
Active
Exact Mass
Calculate m/z
747.476894
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)
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
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

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

Admin

Created at
-
Updated at
-