Dihydroxyacetone Phosphate
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Basic information
- CAS
57-04-5- Standard SMILES
O=C(CO)COP(=O)(O)O- InChIKey
GNGACRATGGDKBX-UHFFFAOYSA-N- Molecular formula
- C3H7O6P
- Average molar mass
- 170.06 g/mol
- Monoisotopic mass
- 169.99802457
Overview
Dihydroxyacetone phosphate is a member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone and a member of glycerone phosphates. It is functionally related to a dihydroxyacetone. It is a conjugate acid of a glycerone phosphate(2-).
Names & identifiers
- Preferred name
- Dihydroxyacetone Phosphate
- IUPAC
- (3-hydroxy-2-oxopropyl) dihydrogen phosphate
- English name
- 1-hydroxy-3-(phosphonooxy)acetone
- Molecular formula
- C3H7O6P
- Molecular weight
- 170.06
Names & synonyms
DIHYDROXYACETONE PHOSPHATEGlycerone phosphateDHAP57-04-5dihydroxyacetone 3-phosphate1-hydroxy-3-(phosphonooxy)-2-propanoneDihydroxyacetone monophosphate1-Hydroxy-3-(phosphonooxy)acetone2-Propanone, 1-hydroxy-3-(phosphonooxy)-1,3-Dihydroxy-2-propanone phosphate3-hydroxy-2-oxopropyl phosphate1,3-Dihydroxyacetone 1-phosphate
Show more names
Dihydroxyacetone phosphate hemimagnesium salt hydrateDHAP Na2Dioxyacetone phosphateGlycerone phosphate lithium saltDihydroxyacetone phosphate (DHAP)
glycerone monophosphate(3-hydroxy-2-oxopropyl) dihydrogen phosphateT7KF2T6W95(3-hydroxy-2-oxopropoxy)phosphonic acidDTXSID6058768CHEBI:161081,3-Dihydroxy-2-propanone monodihydrogen phosphatePhosphate, Dihydroxyacetone
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- -2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
144.07 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
146.7 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
143.2 Ų [M+Na]+
Physicochemical properties
- Boiling point
- 409.1 · 409.1±51.0 °C(Predicted)
- Density
- 1.731 · 1.731±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Water (Slightly)
- form
- Sticky Solid
- pka
- 1.65 · 1.65±0.10(Predicted)
- color
- Off-White
- Stability
- Hygroscopic
- InChI
- 1S/2C3H7O6P.Mg.H2O/c2*4-1-3(5)2-9-10(6,7)8;;/h2*4H,1-2H2,(H2,6,7,8);;1H2/q;;+2;/p-2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsPeroxisome
Metabolite PathwaysCardiolipin Biosynthesis
Uses & manufacturing
General Manufacturing Information2-Propanone, 1-hydroxy-3-(phosphonooxy)-: INACTIVE
Applications
UsesDihydroxyacetone Phosphate Lithium Salt, is a metabolic intermediate involved in involved in a wide variety of metabolic pathways including glycolysis and lipid biosynthesis. In plants,Dihydroxyacetone phosphate is involved with the synthesis of vitamin B6.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent.
Related reactions
7 records
Compound notes
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