sodium;2-hydroxy-2-oxoacetate;phosphoric acid

C2H4NaO8P — CID 159452924

IUPACsodium;2-hydroxy-2-oxoacetate;phosphoric acid
SMILESO=C([O-])C(=O)O.O=P(O)(O)O.[Na+]
InChIInChI=1S/C2H2O4.Na.H3O4P/c3-1(4)2(5)6;;1-5(2,3)4/h(H,3,4)(H,5,6);;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyLTPKTTHIQCHIPA-UHFFFAOYSA-M
MW210.01 g/mol
LogP-6.10
Rot. Bonds

About sodium;2-hydroxy-2-oxoacetate;phosphoric acid

sodium;2-hydroxy-2-oxoacetate;phosphoric acid (PubChem CID 159452924) has the molecular formula C2H4NaO8P and a molecular weight of 210.01 g/mol. Its IUPAC name is sodium;2-hydroxy-2-oxoacetate;phosphoric acid.

Molecular Properties

Compound Namesodium;2-hydroxy-2-oxoacetate;phosphoric acid
PubChem CID159452924
Molecular FormulaC2H4NaO8P
Molecular Weight210.01 g/mol
Exact Mass209.95
IUPAC Namesodium;2-hydroxy-2-oxoacetate;phosphoric acid
SMILESO=C([O-])C(=O)O.O=P(O)(O)O.[Na+]
InChIInChI=1S/C2H2O4.Na.H3O4P/c3-1(4)2(5)6;;1-5(2,3)4/h(H,3,4)(H,5,6);;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyLTPKTTHIQCHIPA-UHFFFAOYSA-M
XLogP-6.10
TPSA155.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.01
LogP ≤ 5-6.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze sodium;2-hydroxy-2-oxoacetate;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;2-hydroxy-2-oxoacetate;hydrochloride
CID 141113765
potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid
CID 175549921
hydron;2-hydroxy-2-oxoacetate
CID 173323775
dipotassium;trisodium;phosphoric acid
CID 175728494
potassium;disodium;oxalic acid;phosphate
CID 172720333
bis(2-hydroxy-2-oxoacetate);oxotitanium
CID 50910318
azane;hydron;2-hydroxy-2-oxoacetate
CID 173005395
phosphoric acid;zirconium(4+);dicarbonate
CID 174847896
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
potassium;azane;phosphoric acid;acetate
CID 175960503
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
potassium;hydride;hydrogen peroxide;phosphoric acid
CID 173155592

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxy-2-oxoacetate;phosphoric acid?
The IUPAC name of sodium;2-hydroxy-2-oxoacetate;phosphoric acid (CID 159452924) is sodium;2-hydroxy-2-oxoacetate;phosphoric acid.
What is the SMILES notation for sodium;2-hydroxy-2-oxoacetate;phosphoric acid?
The canonical SMILES for sodium;2-hydroxy-2-oxoacetate;phosphoric acid is O=C([O-])C(=O)O.O=P(O)(O)O.[Na+].
What is the InChIKey of sodium;2-hydroxy-2-oxoacetate;phosphoric acid?
The InChIKey is LTPKTTHIQCHIPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O4.Na.H3O4P/c3-1(4)2(5)6;;1-5(2,3)4/h(H,3,4)(H,5,6);;(H3,1,2,3,4)/q;+1;/p-1.
What are the key properties of sodium;2-hydroxy-2-oxoacetate;phosphoric acid?
sodium;2-hydroxy-2-oxoacetate;phosphoric acid has a molecular weight of 210.01 g/mol, XLogP of -6.10, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxy-2-oxoacetate;phosphoric acid is sourced from PubChem (CID 159452924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).