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N-Desmethyl Clarithromycin

CAS No.:
101666-68-6
Catalog Number:
AG008WQC
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008WQC
Chemical Name:
N-Desmethyl Clarithromycin
CAS Number:
101666-68-6
MDL Number:
MFCD09840364
IUPAC Name:
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
InChI:
InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChI Key:
CIJTVUQEURKBDL-RWJQBGPGSA-N
Properties
Complexity:
1160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
18  
Defined Bond Stereocenter Count:
0
Exact Mass:
733.461g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
733.937g/mol
Monoisotopic Mass:
733.461g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and antibacterial activity of desosamine-modified macrolide derivatives. Bioorganic & medicinal chemistry letters 20120715
Novel desosamine-modified 14- and 15-membered macrolides without antibacterial activity. Bioorganic & medicinal chemistry letters 20120515
Properties