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3-Phosphono pyruvic acid

CAT: 0013-GTR19247434-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247434-01Size:100 mg
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Description
3-Phosphono pyruvic acid is a biochemical reagent used in glycobiology research. Glycobiology examines the structure, synthesis, biology, and evolution of sugars, encompassing carbohydrate chemistry, glycan formation and degradation enzymology, protein-glycan recognition, and the role of glycans in biological systems. This field is closely related to fundamental research, biomedicine, and biotechnology.
CAS Number
5824-58-8
Smiles
O=C (C (CP (O) (O) =O) =O) O
Molecular Formula
C3H5O6P
Molecular Weight
168.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Phosphonopyruvate

3-phosphonopyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a phospho group. It is functionally related to a pyruvic acid and a phosphonic acid. It is a conjugate acid of a 3-phosphonatopyruvate(2-).

CAS Number5824-58-8
PubChem CID439811
IUPAC Name2-oxo-3-phosphonopropanoic acid
Molecular FormulaC3H5O6P
Molecular Weight168.04
XLogP-2.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity201
SMILES
C(C(=O)C(=O)O)P(=O)(O)O
InChI
InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
InChIKey
CHDDAVCOAOFSLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phosphonopyruvate
CAS: 5824-58-8
CID: 439811
Formula: C3H5O6P
MW: 168.04
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.04
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass167.98237487
Monoisotopic Mass167.98237487
Topological Polar Surface Area112 Ų
Heavy Atom Count10
Formal Charge0
Complexity201
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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