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1,3-Dihydroxyacetone

CAT: 0013-GTR19243985-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19243985-02Size:1 g
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Description
1,3-Dihydroxyacetone (DHA), the main active ingredient in sunless tanning skin-care preparations and an important precursor for the synthesis of various fine chemicals, is produced on an industrial scale by microbial fermentation of glycerol over Gluconobacter oxydans.
CAS Number
96-26-4
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (1110.12 mM; Ultrasonic)
Smiles
OCC (=O) CO
Molecular Formula
C3H6O3
Molecular Weight
90.08
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dihydroxyacetone

Dihydroxyacetone is a ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones. It has a role as a metabolite, an antifungal agent, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone and a ketotriose.

CAS Number96-26-4
PubChem CID670
IUPAC Name1,3-dihydroxypropan-2-one
Molecular FormulaC3H6O3
Molecular Weight90.08
XLogP-1.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity44
SMILES
C(C(=O)CO)O
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKey
RXKJFZQQPQGTFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydroxyacetone
CAS: 96-26-4
CID: 670
Formula: C3H6O3
MW: 90.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.08
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass90.031694049
Monoisotopic Mass90.031694049
Topological Polar Surface Area57.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity44
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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