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S-(Phosphonomethyl)cysteine

HCID 192579
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Basic information

CAS
152269-49-3
Standard SMILES
N[C@@H](CSCP(=O)(O)O)C(=O)O
InChIKey
IIALWEPLPCANHU-VKHMYHEASA-N
Molecular formula
C4H10NO5PS
Average molar mass
215.167 g/mol
Monoisotopic mass
215.00173005

Names & identifiers

Preferred name
S-(Phosphonomethyl)cysteine
IUPAC
S-(Phosphonomethyl)-L-cysteine
English name
2-amino-3-((phosphonomethyl)thio)propionic acid
Molecular formula
C4H10NO5PS
Molecular weight
215.17

Names & synonyms

L-Cysteine, S-(phosphonomethyl)-2-amino-3-((phosphonomethyl)thio)propionic acid

Database identifiers

CAS
152269-49-3
PubChem CID
192579
DTXSID
DTXSID60934458
ChEMBL
CHEMBL175970
UNII
R021QK26O0
Nikkaji
J1.155.732E

Properties

Physicochemical properties

Boiling point
506.548 · 506.548±60.00 °C(Press: 760.00 Torr)(predicted)
Density
1.703 · 1.703±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
1.679 · 1.679±0.14(predicted)
FDA UNII
21 QK26O0 · R021QK26O0

Related reactions

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Compound notes

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