Name: Name:(2R,5R)-2,5-Hexanediol
Brand: Angene
SKU: AG003BOK
Rating: 90 (10 reviews)

(2R,5R)-2,5-Hexanediol

CAS No.:

17299-07-9

Catalog Number:

AG003BOK

Molecular Formula:

C6H14O2

Molecular Weight:

118.1742

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>98.0%(GC)

1 week

United States

$231

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Product Description

Catalog Number:

AG003BOK

Chemical Name:

(2R,5R)-2,5-Hexanediol

CAS Number:

17299-07-9

Molecular Formula:

C6H14O2

Molecular Weight:

118.1742

MDL Number:

MFCD00142339

IUPAC Name:

(2R,5R)-hexane-2,5-diol

InChI:

InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1

InChI Key:

OHMBHFSEKCCCBW-PHDIDXHHSA-N

SMILES:

C[C@H](CC[C@H](O)C)O

Properties

Complexity:

46.5

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

118.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

118.176g/mol

Monoisotopic Mass:

118.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Laboratory evolution of Pyrococcus furiosus alcohol dehydrogenase to improve the production of (2S,5S)-hexanediol at moderate temperatures.	Extremophiles : life under extreme conditions 20080701
Diastereoselective synthesis of optically active (2 R,5 R)-hexanediol.	Applied microbiology and biotechnology 20020401

Properties