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101910-34-3 | 4-Thiazolidinecarboxylic acid, 2-(2-hydroxyphenyl)-3-[3-(methylsulfinyl)-1-oxopropyl]-, (2R,4R)-
CAS No: 101910-34-3 Catalog No: AG0005WZ MDL No:
Product Description
Catalog Number:
AG0005WZ
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-(2-hydroxyphenyl)-3-[3-(methylsulfinyl)-1-oxopropyl]-, (2R,4R)-
CAS Number:
101910-34-3
Molecular Formula:
C14H17NO5S2
Molecular Weight:
343.4185
IUPAC Name:
(2R,4R)-2-(2-hydroxyphenyl)-3-(3-methylsulfinylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C14H17NO5S2/c1-22(20)7-6-12(17)15-10(14(18)19)8-21-13(15)9-4-2-3-5-11(9)16/h2-5,10,13,16H,6-8H2,1H3,(H,18,19)/t10-,13+,22?/m0/s1
InChI Key:
IIWRHLBIOWIXHR-FEYSIMPBSA-N
SMILES:
CS(=O)CCC(=O)N1[C@@H](CS[C@@H]1c1ccccc1O)C(=O)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
343.055g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.412g/mol
Monoisotopic Mass:
343.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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