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ThiamphenicolPalmitate

CAS No.:
52628-58-7
Catalog Number:
AG01E4NS
Molecular Formula:
C28H45Cl2NO6S
Molecular Weight:
594.6310
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Product Description
Catalog Number:
AG01E4NS
Chemical Name:
ThiamphenicolPalmitate
CAS Number:
52628-58-7
Molecular Formula:
C28H45Cl2NO6S
Molecular Weight:
594.6310
MDL Number:
MFCD01863178
IUPAC Name:
[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-methylsulfonylphenyl)propyl] hexadecanoate
InChI:
InChI=1S/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(33)37-26(24(21-32)31-28(34)27(29)30)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,32H,3-16,21H2,1-2H3,(H,31,34)/t24-,26-/m1/s1
InChI Key:
ROGLXKYZAOFGQO-AOYPEHQESA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OC(c1ccc(cc1)S(=O)(=O)C)C(NC(=O)C(Cl)Cl)CO
EC Number:
258-056-9
Properties
Complexity:
751  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
593.234g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
594.629g/mol
Monoisotopic Mass:
593.234g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6  
Properties