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ClindaMycin PalMiitate Sulfoxide

CAS No.:
1123211-65-3
Catalog Number:
AG008X23
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008X23
Chemical Name:
ClindaMycin PalMiitate Sulfoxide
CAS Number:
1123211-65-3
MDL Number:
MFCD31543916
IUPAC Name:
[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfinyloxan-3-yl] hexadecanoate
InChI:
InChI=1S/C34H63ClN2O7S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)43-32-30(40)29(39)31(44-34(32)45(5)42)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/t24-,25+,26-,28+,29+,30-,31+,32+,34+,45?/m0/s1
InChI Key:
MEIKKMCUTRNHMT-UNBXGSTLSA-N
Properties
Complexity:
884  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
678.404g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
679.395g/mol
Monoisotopic Mass:
678.404g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  
Properties