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METOLACHLORMERCAPTURATE

CAS No.:
159956-64-6
Catalog Number:
AG00APMU
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00APMU
Chemical Name:
METOLACHLORMERCAPTURATE
CAS Number:
159956-64-6
MDL Number:
MFCD11616759
IUPAC Name:
(2R)-2-acetamido-3-[2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethyl]sulfanylpropanoic acid
InChI:
InChI=1S/C20H30N2O5S/c1-6-16-9-7-8-13(2)19(16)22(14(3)10-27-5)18(24)12-28-11-17(20(25)26)21-15(4)23/h7-9,14,17H,6,10-12H2,1-5H3,(H,21,23)(H,25,26)/t14?,17-/m0/s1
InChI Key:
HEFXMEPCHCUHDE-JRZJBTRGSA-N
Properties
Complexity:
531  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
410.188g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
410.529g/mol
Monoisotopic Mass:
410.188g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties