Molecular Identity
1,3-dihydroxyacetone
1,3-dihydroxypropan-2-one
PubChem CID: 670
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.
2D Structure
Properties
C3H6O3
Molecular Formula
90.08
Molecular Weight
g/mol
90.0317
Exact Mass
Da
-1.4
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
44
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1,3-dihydroxyacetoneDihydroxyacetone96-26-41,3-Dihydroxypropan-2-oneglycerone1,3-Dihydroxy-2-propanoneChromelinTriuloseViticolorDihyxalOxantinOxatoneSolealOtan2-Propanone, 1,3-dihydroxy-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1,3-dihydroxyacetone
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