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Home Other Building Blocks (2S,5S)-(+)-Hexanediol

(2S,5S)-(+)-Hexanediol

CAS No.:
34338-96-0
Catalog Number:
AG003BPO
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$213
- +
5g
>98.0%(GC)
1 week
United States
$655
- +
Product Description
Catalog Number:
AG003BPO
Chemical Name:
(2S,5S)-(+)-Hexanediol
CAS Number:
34338-96-0
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD00082583
IUPAC Name:
(2S,5S)-hexane-2,5-diol
InChI:
InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChI Key:
OHMBHFSEKCCCBW-WDSKDSINSA-N
SMILES:
C[C@@H](CC[C@@H](O)C)O
Properties
Complexity:
46.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Highly efficient and stereoselective biosynthesis of (2S,5S)-hexanediol with a dehydrogenase from Saccharomyces cerevisiae. Organic & biomolecular chemistry 20100407
Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example. International journal of molecular sciences 20100101
Laboratory evolution of Pyrococcus furiosus alcohol dehydrogenase to improve the production of (2S,5S)-hexanediol at moderate temperatures. Extremophiles : life under extreme conditions 20080701
Properties