ChemicalBook--->CAS DataBase List--->57-04-5

57-04-5

57-04-5 Structure

57-04-5 Structure
IdentificationBack Directory
[Name]

1-hydroxy-3-(phosphonooxy)acetone
[CAS]

57-04-5
[Synonyms]

DHAP Na2
Dioxyacetone phosphate
Dihydroxyacetone phosphate
Dihydroxyacetone 3-phosphate
Dihydroxyacetone monophosphate
1,3-Dihydroxyacetone 1-phosphate
Glycerone phosphate lithium salt
1-hydroxy-3-(phosphonooxy)acetone
1,3-Dihydroxy-2-propanone phosphate
(3-hydroxy-2-oxo-propoxy)phosphonic acid
1-Hydroxy-3-(phosphonooxy)-2-propanone lithium salt
dihydroxyacetone phosphate dilithium salt monohydrate
[EINECS(EC#)]

200-308-7
[Molecular Formula]

C3H7O6P
[MDL Number]

MFCD00871491
[MOL File]

57-04-5.mol
[Molecular Weight]

170.058
Chemical PropertiesBack Directory
[Boiling point ]

409.1±51.0 °C(Predicted)
[density ]

1.731±0.06 g/cm3(Predicted)
[storage temp. ]

?20°C
[solubility ]

Water (Slightly)
[form ]

Sticky Solid
[pka]

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
[InChIKey]

XIBMKSGIYJARCI-UHFFFAOYSA-L
[SMILES]

O.OCC(=O)COP(O)(=O)O[Mg]OP(O)(=O)OCC(=O)CO
[EPA Substance Registry System]

2-Propanone, 1-hydroxy-3-(phosphonooxy)- (57-04-5)
Hazard InformationBack Directory
[Definition]

ChEBI: A member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent.
[Uses]

Dihydroxyacetone 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.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 78, p. 1659, 1956 DOI: 10.1021/ja01589a045
Tetrahedron Letters, 29, p. 4645, 1988 DOI: 10.1016/S0040-4039(00)80570-5
[Biochem/physiol Actions]

Dihydroxyacetone phosphate (DHAP) is a metabolic intermediate involved in many pathways, including glycolysis, gluconeogenesis, glycerol metabolism, phosphatidic acid synthesis, fat metabolism, and the Calvin cycle.
[IC 50]

Human Endogenous Metabolite
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
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