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98462-04-5 | 3-Sulfino-DL-valine
CAS No: 98462-04-5 Catalog No: AG01FNS2 MDL No:
Product Description
Catalog Number:
AG01FNS2
Chemical Name:
3-Sulfino-DL-valine
CAS Number:
98462-04-5
IUPAC Name:
2-amino-3-methyl-3-sulfinobutanoic acid
InChI:
InChI=1S/C5H11NO4S/c1-5(2,11(9)10)3(6)4(7)8/h3H,6H2,1-2H3,(H,7,8)(H,9,10)
InChI Key:
SVIZNTHNFAOGAB-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.206g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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