CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 417.3 ± 45.0 |
|---|---|
| Melting Point | 185-187 |
| Solubility | 1.6g/L |
| LogP | -4.24 |
| Dissociation Constants | 1.84 |
| Collision Cross Section | 137.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 179.20 g/mol |
|---|---|
| XLogP3 | -3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 179.02522894 g/mol |
| Monoisotopic Mass | 179.02522894 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 161 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
S-carboxymethyl-L-cysteine is an L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group.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-).