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DL-Homocysteic acid

CAT: 1410-M30970Size: 1 EachDry Ice: NoHazardous: No
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Description
DL-Homocysteic acid is a useful organic compound for research related to life sciences.
CAS Number
504-33-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
183.18
Molecular Formula
C4H9NO5S
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Homocysteic acid

Homocysteic acid is a non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group has benn oxidised to the corresponding sulfonic acid. It is an amino sulfonic acid, a carboxyalkanesulfonic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a homocysteine.

CAS Number504-33-6
PubChem CID92117
IUPAC Name2-amino-4-sulfobutanoic acid
Molecular FormulaC4H9NO5S
Molecular Weight183.19
XLogP-3.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity227
SMILES
C(CS(=O)(=O)O)C(C(=O)O)N
InChI
InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
InChIKey
VBOQYPQEPHKASR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homocysteic acid
CAS: 504-33-6
CID: 92117
Formula: C4H9NO5S
MW: 183.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight183.19
XLogP3-3.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass183.02014356
Monoisotopic Mass183.02014356
Topological Polar Surface Area126 Ų
Heavy Atom Count11
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes