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Carbocysteine extrapure, 98%

CAT: 0565-32943-01Size: 1 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
638-23-3
Storage Temperature
8 - 25°C

Chemical Information

Carbocysteine

S-carboxymethyl-L-cysteine is an L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group. It has a role as a mucolytic. It is a L-cysteine thioether and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a S-carboxylatomethyl-L-cysteine(1-).

CAS Number638-23-3
PubChem CID193653
IUPAC Name(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid
Molecular FormulaC5H9NO4S
Molecular Weight179.20
XLogP-3.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
C([C@@H](C(=O)O)N)SCC(=O)O
InChI
InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
GBFLZEXEOZUWRN-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of Carbocysteine
CAS: 638-23-3
CID: 193653
Formula: C5H9NO4S
MW: 179.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.20
XLogP3-3.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass179.02522894
Monoisotopic Mass179.02522894
Topological Polar Surface Area126 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes