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140835-58-1 | L-Cysteine, S-[(2,4,6-trimethoxyphenyl)methyl]-
CAS No: 140835-58-1 Catalog No: AG001CVG MDL No:
Product Description
Catalog Number:
AG001CVG
Chemical Name:
L-Cysteine, S-[(2,4,6-trimethoxyphenyl)methyl]-
CAS Number:
140835-58-1
Molecular Formula:
C13H19NO5S
Molecular Weight:
301.3587
IUPAC Name:
(2R)-2-amino-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]propanoic acid
InChI:
InChI=1S/C13H19NO5S/c1-17-8-4-11(18-2)9(12(5-8)19-3)6-20-7-10(14)13(15)16/h4-5,10H,6-7,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChI Key:
HJZAATQHLMQOKU-JTQLQIEISA-N
SMILES:
COc1cc(OC)cc(c1CSC[C@@H](C(=O)O)N)OC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
301.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.357g/mol
Monoisotopic Mass:
301.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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