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56-88-2

56-88-2 structural image
Product Name: L-CYSTATHIONINE
Formula: C7H14N2O4S
Synonyms: (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Melting Point 312 °C
Solubility 22 mg/mL
Collision Cross Section 147 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Chemical Classes Biological Agents -> Amino Acids and Derivatives

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 222.26 g/mol
XLogP3 -6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 222.06742811 g/mol
Monoisotopic Mass 222.06742811 g/mol
Topological Polar Surface Area 152 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 212
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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-cystathionine is a modified amino acid generated by enzymic means from L-homocysteine and L-serine. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a tautomer of a L-cystathionine dizwitterion.