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Home Halogens Ethyl (S)-4-chloro-3-hydroxybutyrate

Ethyl (S)-4-chloro-3-hydroxybutyrate

CAS No.:
86728-85-0
Catalog Number:
AG003CMJ
Molecular Formula:
C6H11ClO3
Molecular Weight:
166.6027
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$25
- +
100g
~85%(GC)
In Stock USA
United States
$40
- +
500g
~85%(GC)
In Stock USA
United States
$47
- +
Product Description
Catalog Number:
AG003CMJ
Chemical Name:
Ethyl (S)-4-chloro-3-hydroxybutyrate
CAS Number:
86728-85-0
Molecular Formula:
C6H11ClO3
Molecular Weight:
166.6027
MDL Number:
MFCD00211241
IUPAC Name:
ethyl (3S)-4-chloro-3-hydroxybutanoate
InChI:
InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1
InChI Key:
ZAJNMXDBJKCCAT-YFKPBYRVSA-N
SMILES:
CCOC(=O)C[C@@H](CCl)O
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
166.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.601g/mol
Monoisotopic Mass:
166.04g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Asymmetric synthesis of (S)-ethyl-4-chloro-3-hydroxy butanoate using a Saccharomyces cerevisiae reductase: enantioselectivity and enzyme-substrate docking studies. Biochimica et biophysica acta 20100901
Asymmetric synthesis of (S)-ethyl-4-chloro-3-hydroxybutanoate using Candida parapsilosis ATCC 7330. Journal of industrial microbiology & biotechnology 20100201
Improvement of natural isolates of Saccharomyces cerevisiae strains for synthesis of a chiral building block using classic genetics. Applied microbiology and biotechnology 20080301
Properties