3-[(Carboxymethyl)sulfinyl]-L-alanine

Basic Information

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CAS Number

5439-87-2

Molecular Formula

C5H9NO5S

Molecular Weight

195.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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C(C(C(=O)O)N)S(=O)CC(=O)O

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

InChIKey

DUGSIUCROZRSMS-JAFRLTCSSA-N

LogP

-1.7683999999999997

Topological Polar Surface Area

117.68999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

216

Synonyms & References

English

Alanine, 3-((carboxymethyl)sulfinyl)-
Carbocisteine Sulfoxide
AKOS025312432
DTXSID30943254
MFCD21364079
3-(Carboxymethanesulfinyl)alanine
(S)-Carboxymethyl-L-cysteine (RS)-Sulfoxide
5439-87-2
(S)-Carboxymethyl-L-cysteine (R/S)-Sulphoxide
Alanine, 3-[(carboxymethyl)sulfinyl]-
20960-90-1
2-amino-3-(carboxymethylsulfinyl)propanoic acid
SCHEMBL155324
61475-35-2
S-Carboxymethyl-L-cysteine sulfoxide
(2R)-2-amino-3-(carboxymethylsulfinyl)propanoic acid
(R)-2-Amino-3-((R)-(carboxymethyl)sulfinyl)propanoic acid
3-((Carboxymethyl)sulfinyl)alanine
S-carboxymethyl-l-cysteine S-oxide
(2R)-2-AMINO-3-(CARBOXYMETHANESULFINYL)PROPANOIC ACID
L-Alanine,3-[(carboxymethyl)sulfinyl]-
Carbocisteine Sulfoxide (Mixture of diastereomers)
Carbocisteine Sulfoxide (Mixture of diastereomers)
carbocysteine sulfoxide
(-)-Carboxymethylcysteinsulfoxid
(+)
S-Carboxymethylcystein-sulfoxid
S-Carboxymethyl-L-cysteine-sulfoxide
((carboxymethyl)sulfinyl)-D-alanine

MDL Number

MFCD21364079

Customs Code

2930909090

FAQ

What is 3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2)?

3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2) is an organic compound with a sulfoxide functional group attached to the carboxymethyl group of L-alanine. It is a white to off-white solid with a molecular formula of C5H9NO3S. This compound exhibits properties typical of amino acids and is used in various applications due to its unique chemical structure.

What are the main uses of 3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2)?

3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2) is primarily used in pharmaceuticals for its potential therapeutic effects in treating certain diseases. It is also utilized in research as a reagent and intermediate. Some applications include stabilizing proteins and peptides, and as a research tool for understanding enzyme interactions.

Is 3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2) safe?

3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2) is generally considered safe for its intended applications when handled with appropriate precautions. However, it should be used with care, and appropriate personal protective equipment (PPE) should be worn. Exposure to the skin or eyes should be avoided, and it should be stored away from heat and direct sunlight.

How should 3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2) be stored?

3-[(Carboxymethyl)sulfinyl]-L-alanine (CAS: 5439-87-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and degradation. Optimal storage conditions typically involve a temperature range of 15-25°C and a relative humidity below 60%. Proper ventilation should be ensured to avoid the accumulation of flammable vapors.