CAS 15060-26-1 | L-Cysteine, N-acetyl-S-(2-hydroxyethyl)- | CAS Number 15060-26-1

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15060-26-1 | L-Cysteine, N-acetyl-S-(2-hydroxyethyl)-

CAS No: 15060-26-1 Catalog No: AG001MRU MDL No:

Product Description

Catalog Number:

AG001MRU

Chemical Name:

L-Cysteine, N-acetyl-S-(2-hydroxyethyl)-

CAS Number:

15060-26-1

Molecular Formula:

C7H13NO4S

Molecular Weight:

207.2474

IUPAC Name:

(2R)-2-acetamido-3-(2-hydroxyethylsulfanyl)propanoic acid

InChI:

InChI=1S/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1

InChI Key:

NAYOYSKSFGMFOB-LURJTMIESA-N

SMILES:

CC(=O)N[C@H](C(=O)O)CSCCO

UNII:

5125C7A0EK

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.244g/mol

Monoisotopic Mass:

207.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9

Literature

Title	Journal
A column-switching liquid chromatography-tandem mass spectrometry method for quantitation of 2-cyanoethylmercapturic acid and 2-hydroxyethylmercapturic acid in Chinese smokers.	Analytical biochemistry 20121101
Simultaneous quantitation of urinary cotinine and acrylonitrile-derived mercapturic acids with ultraperformance liquid chromatography-tandem mass spectrometry.	Analytical and bioanalytical chemistry 20120201
Simultaneous determination of six mercapturic acid metabolites of volatile organic compounds in human urine.	Chemical research in toxicology 20090601
Simultaneous determination of mercapturic acids derived from ethylene oxide (HEMA), propylene oxide (2-HPMA), acrolein (3-HPMA), acrylamide (AAMA) and N,N-dimethylformamide (AMCC) in human urine using liquid chromatography/tandem mass spectrometry.	Rapid communications in mass spectrometry : RCM 20080901