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113793-27-4 | L-Threonine, N-[[4-(1-methylethyl)phenyl]sulfonyl]-
CAS No: 113793-27-4 Catalog No: AG0009OE MDL No:
Product Description
Catalog Number:
AG0009OE
Chemical Name:
L-Threonine, N-[[4-(1-methylethyl)phenyl]sulfonyl]-
CAS Number:
113793-27-4
Molecular Formula:
C13H19NO5S
Molecular Weight:
301.3587
IUPAC Name:
3-hydroxy-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
InChI:
InChI=1S/C13H19NO5S/c1-8(2)10-4-6-11(7-5-10)20(18,19)14-12(9(3)15)13(16)17/h4-9,12,14-15H,1-3H3,(H,16,17)
InChI Key:
GDVSWJYBOBLYPW-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)[C@H](O)C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.357g/mol
Monoisotopic Mass:
301.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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