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Dihydroxyacetone phosphate

CAT: 1299-RG-E141014-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141014-04Size:100 mg
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CAS Number
57-04-5
Synonyms
3-hydroxy-2-oxopropyl dihydrogen phosphate
Molecular Formula
C3H7O6P
Molecular Weight
170.06
Product Name Synonym
3-hydroxy-2-oxopropyl dihydrogen phosphate

Chemical Information

Dihydroxyacetone Phosphate

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-).

CAS Number57-04-5
PubChem CID668
IUPAC Name(3-hydroxy-2-oxopropyl) dihydrogen phosphate
Molecular FormulaC3H7O6P
Molecular Weight170.06
XLogP-2.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity158
SMILES
C(C(=O)COP(=O)(O)O)O
InChI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
InChIKey
GNGACRATGGDKBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydroxyacetone Phosphate
CAS: 57-04-5
CID: 668
Formula: C3H7O6P
MW: 170.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.06
XLogP3-2.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass169.99802494
Monoisotopic Mass169.99802494
Topological Polar Surface Area104 Ų
Heavy Atom Count10
Formal Charge0
Complexity158
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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