| CAS Number | 5439-87-2 |
| Catalog Number | AG00DDLS(AGN-PC-0WBNCJ) |
| Chemical Name | (2R)-2-Amino-3-((carboxymethyl)sulfinyl)propanoic acid |
| IUPAC Name | (2R)-2-amino-3-(carboxymethylsulfinyl)propanoic acid |
| InChI | InChI=1S/C5H9NO5S/c6-3(5(9)10)1-12(11)2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-,12?/m0/s1 |
| InChI Key | DUGSIUCROZRSMS-JAFRLTCSSA-N |
| MDL Number | MFCD21364079 |
| Molecular Formula | C5H9NO5S |
| Molecular Weight | 195.1937 |
| SMILES | N[C@H](C(=O)O)CS(=O)CC(=O)O |
| Synonyms | carbocysteine sulfoxide,
carbocysteine sulphoxide,
Carbocisteine Sulfoxide,
3-((Carboxymethyl)sulfinyl)alanine,
5439-87-2,
20960-90-1,
Carbocisteine Sulfoxide (Mixture of diastereomers),
SCHEMBL155324,
CTK1A3542,
S-carboxymethyl-l-cysteine S-oxide,
3-(Carboxymethylsulfinyl)-L-alanine,
AKOS025312432,
S-(Carboxymethyl)-L-cysteine S-oxide,
Alanine, 3-((carboxymethyl)sulfinyl)-,
TL8006606,
(S)-Carboxymethyl-L-cysteine (R/S)-Sulphoxide,
L-Alanine, 3-[(carboxymethyl)sulfinyl-35S]-,
(2R)-2-amino-3-(carboxymethylsulfinyl)propanoic acid,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.189g/mol |
| Monoisotopic Mass | 195.02g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number