sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks L-Cysteine, N-acetyl-S-(3,4-dihydroxybutyl)-

L-Cysteine, N-acetyl-S-(3,4-dihydroxybutyl)-

CAS No.:
144889-50-9
Catalog Number:
AG001KAL
Molecular Formula:
C9H17NO5S
Molecular Weight:
251.3000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001KAL
Chemical Name:
L-Cysteine, N-acetyl-S-(3,4-dihydroxybutyl)-
CAS Number:
144889-50-9
Molecular Formula:
C9H17NO5S
Molecular Weight:
251.3000
MDL Number:
MFCD03701113
IUPAC Name:
(2R)-2-acetamido-3-(3,4-dihydroxybutylsulfanyl)propanoic acid
InChI:
InChI=1S/C9H17NO5S/c1-6(12)10-8(9(14)15)5-16-3-2-7(13)4-11/h7-8,11,13H,2-5H2,1H3,(H,10,12)(H,14,15)/t7?,8-/m0/s1
InChI Key:
VGJNEDFZFZCLSX-MQWKRIRWSA-N
SMILES:
OCC(CCSC[C@@H](C(=O)O)NC(=O)C)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
251.083g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
251.297g/mol
Monoisotopic Mass:
251.083g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Literature
Title Journal
[Simultaneous determination of four mercapturic acids in human urine using solid phase extraction and liquid chromatography-tandem mass spectrometry]. Se pu = Chinese journal of chromatography 20110101
Simultaneous determination of six mercapturic acid metabolites of volatile organic compounds in human urine. Chemical research in toxicology 20090601
Effect of n-hexane on the disposition and toxicity of the 1,3-butadiene metabolite 3-butene-1,2-diol. Chemico-biological interactions 20070320
Analysis of butadiene urinary metabolites by liquid chromatography-triple quadrupole mass spectrometry. Journal of analytical toxicology 20040401
Properties