(2S,5S) - (+) -Hexane-2,5-diol

CAT: 0127-OR20022-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

34338-96-0

MDL Number

MFCD00082583

Purity

98%

Smiles

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

Chemical Information

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

(2S,5S)-hexanediol is a hexane-2,5-diol with S-configuration at both the C-2 and C-5 centres. It is an enantiomer of a (2R,5R)-hexanediol.

CAS Number	34338-96-0
PubChem CID	6950288
IUPAC Name	(2S,5S)-hexane-2,5-diol
Molecular Formula	C6H14O2
Molecular Weight	118.17
XLogP	0.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	46

SMILES

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

InChI

InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1

InChIKey

OHMBHFSEKCCCBW-WDSKDSINSA-N

Chemical Structure

2D Structure

CAS: 34338-96-0

CID: 6950288

Formula: C6H14O2

MW: 118.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.17
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	118.099379685
Monoisotopic Mass	118.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	46.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1040706-01	(2S,5S) -Hexane-2,5-diylbis (diphenylphosphine)
OR1013499-01	Hexane-2,5-Diol
OR1040184-01	Hexane-1,5-diol
OR1031227-01	(2S,5S) -2,5-Diphenylpyrrolidine
OR46574-01	(2R,5R) -Hexane-2,5-diol
OR1035718-01	(2S,5S) -2,5-Dimethylpyrrolidine hydrochloride
OR1066516-01	[1- (2S,5S) -2,5-dimethylphospholanyl]-[2- (2S,5S) -2,5-dimethylphospholanyl-1-oxide]benzene
OR1039541-01	(2S,5S) -2,5-Dimethylpiperazine dihydrobromide
OR1040483-01	(2S,5S) -2,5-Dimethylmorpholine hydrochloride
OR4450T	(2S,3R,4R,5S) -2,5-Bis (hydroxymethyl) pyrrolidine-3,4-diol

Catalog	Name
JH914848	(2S,5S) -Hexane-2,5-diol cyclic sulfate
FD59890-01	(2S,5S) -2,5-Diphenylpyrrolidine
278918-01	(2S,5S) -2,5-Hexanediol
TRC-H292150-1G	(2S,5S)-2,5-Hexanediol
AEC76855	(2S,5S) -5-Methyl-2-phenylmorpholine
274471-01	(2S,5S) -2,5-Diphenylpyrrolidine discontinued
sc-498054	(2S,5S) -2,5-Dimethylpyrrolidine Hydrochloride
TRC-D478005-1G	(2S,5S)-2,5-Dimethylpyrrolidine Hydrochloride
HY-CE00213	(2S,5S) -5-Carboxymethylproline-CoA
CSB-DT2290	(2S,5S) -Fmoc-5-methylproline