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4371-52-2

4371-52-2 structural image
Product Name: CYSTEINE
Formula: C3H7NO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless or white solid; [HSDB] Colorless crystalline solid; [Sigma-Aldrich MSDS]
Color/Form Colorless crystals
Melting Point 240 dec °C
Solubility 277000 mg/L (at 25 °C)
Vapor Pressure 0.00000207 [mmHg]
LogP -2.49
Stability/Shelf Life Stable under recommended storage conditions.
Optical Rotation Decomposes 175-178 °C; soluble in water, alcohol, acetone; the aqueous solution is acid; decomposes and oxidizes slowly; hygroscopic. Specific optical rotation: +5.0 °C (5 N HCl) at 25 °C/D; +10.0 °C at 25 °C/D (glacial acetic acid) /Cysteine hydrochloride/
Decomposition When heated to decomposition it emits very toxic fumes of /sulfur oxides and nitrogen oxides/.
Ionization Efficiency Positive
Dissociation Constants 1.71
Collision Cross Section 149.57 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Other Experimental Properties Readily oxidizes to form a dimeric amino acid, cystine, in which the two cysteines are linked via a disulfide bridge, a common structural feature in proteins. Amino Acids and Proteins, D.M. Greenberg, Ed. (Charles C. Thomas, Springfield, IL, 1951) 950 pp.
Chemical Classes Biological Agents -> Amino Acids and Derivatives

COMPUTED DESCRIPTORS

Molecular Weight 121.16 g/mol
XLogP3 -2.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 121.01974964 g/mol
Monoisotopic Mass 121.01974964 g/mol
Topological Polar Surface Area 64.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 75.3
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

L-cysteine is an optically active form of cysteine having L-configuration. It has a role as a flour treatment agent, a human metabolite and an EC 4.3.1.3 (histidine ammonia-lyase) inhibitor. It is a serine family amino acid, a proteinogenic amino acid, a cysteine and a L-alpha-amino acid. It is a conjugate base of a L-cysteinium. It is a conjugate acid of a L-cysteinate(1-). It is an enantiomer of a D-cysteine. It is a tautomer of a L-cysteine zwitterion.