Galactitol - PubChem Public Chemical Database

Galactitol - Substance Summary (SID 4837)

A naturally occurring product of plants obtained following reduction of GALACTOSE. It appears as a white crystalline powder with a slight sweet taste. It may form in excess in the lens of the eye in GALACTOSEMIAS, a deficiency of GALACTOKINASE.

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Drug and Chemical Information: (Total:1)

Galactitol

Chemical Classification

Carbohydrates

Sugar Alcohols

Galactitol

Organic Chemicals

Alcohols

Sugar Alcohols

Galactitol

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature

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analysis	antagonists and inhibitors	biosynthesis
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pharmacology	physiology	radiation effects
therapeutic use	toxicity	urine

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Data Source:

Depositor: KEGG
External ID: C01697

Properties Computed from Structure:

Molecular Weight	182.17176 [g/mol]
Molecular Formula	C₆H₁₄O₆
XLogP3	-3.1
H-Bond Donor	6
H-Bond Acceptor	6
Rotatable Bond Count	5
Exact Mass	182.079038
MonoIsotopic Mass	182.079038
Topological Polar Surface Area	121
Heavy Atom Count	12
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	4
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: hexane-1,2,3,4,5,6-hexol
Canonical SMILES: C(C(C(C(C(CO)O)O)O)O)O
InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2

InChIKey: FBPFZTCFMRRESA-UHFFFAOYSA-N

Substance Information:

SID 4837

Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 453

Create Date: 2005-03-25

Related Substances:

Same: 88 Links
Same, Connectivity: 260 Links
Same, Stereochemistry: 95 Links
Same, Isotopes: 234 Links

Similar Substances: 761 Links

Depositor-Supplied Comments:

CAS: 608-66-2
ChEBI: 16813
KNApSAcK: C00001160
3DMET: B04809
Is a reactant or product of enzyme EC 1.1.1.16
Is a reactant or product of enzyme EC 1.1.1.21
Is a reactant or product of enzyme EC 2.7.1.69

ASN1

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SDF


	2D		3D

Compound ID	453
Molecular Weight	182.17176 [g/mol]
Molecular Formula	C₆H₁₄O₆
XLogP3	-3.1
H-Bond Donor	6
H-Bond Acceptor	6

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