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3-Phosphoglyceric acid barium

CAT: 0931-T19126-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19126-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22457-55-2
Target
Others
Related Pathways
Others
Bioactivity
3-Phosphoglyceric acid barium is a metabolic intermediate in both glycolysis and the Calvin cycle. It is involved in alveolar macrophage epigenetic regulation.
Smiles
[BaH2].OC(COP(O)(O)=O)C(O)=O
Molecular Formula
C3H9BaO7P
Molecular Weight
325.399
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glyceric acid 3-(barium phosphate)
CAS Number22457-55-2
PubChem CID90788
IUPAC Namebarium(2+);(2-carboxy-2-hydroxyethyl) phosphate
Molecular FormulaC3H5BaO7P
Molecular Weight321.37
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity171
SMILES
C(C(C(=O)O)O)OP(=O)([O-])[O-].[Ba+2]
InChI
InChI=1S/C3H7O7P.Ba/c4-2(3(5)6)1-10-11(7,8)9;/h2,4H,1H2,(H,5,6)(H2,7,8,9);/q;+2/p-2
InChIKey
IAFYHPGYCIOBCG-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Glyceric acid 3-(barium phosphate)
CAS: 22457-55-2
CID: 90788
Formula: C3H5BaO7P
MW: 321.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass321.882537
Monoisotopic Mass321.882537
Topological Polar Surface Area130 Ų
Heavy Atom Count12
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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