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3-Sulfino-DL-valine

3-Sulfino-DL-valine structure

3-Sulfino-DL-valine 

structure
  • CAS No:

    98462-04-5

  • Formula:

    C5H11NO4S

  • Chemical Name:

    3-Sulfino-DL-valine

  • Synonyms:

    3-Sulfino-DL-valine;2-amino-3-methyl-3-sulfinobutanoic acid;Rac-Sulbactam EP Impurity A;Valine, 3-sulfino-

3-Sulfino-DL-valine Basic Attributes

181.21

181.04087901

Characteristics

1.551±0.06 g/cm3

429.7±55.0 °C(Predicted)

2.36±0.12

3-Sulfino-DL-valine Use and Manufacturing

3-Sulfino-DL-valine is an impurity of the semi-synthetic β-lactamase inhibitor Sulbactam (S699185).

Computed Properties

Molecular Weight:181.21
XLogP3:-3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:181.04087901
Monoisotopic Mass:181.04087901
Topological Polar Surface Area:120
Heavy Atom Count:11
Complexity:191
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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