tetrasodium;ethane-1,2-diol;oxalate

C6H6Na4O10 — CID 175096123

IUPACtetrasodium;ethane-1,2-diol;oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].OCCO.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C2H2O4.C2H6O2.4Na/c2*3-1(4)2(5)6;3-1-2-4;;;;/h2*(H,3,4)(H,5,6);3-4H,1-2H2;;;;/q;;;4*+1/p-4
InChIKeyPIMJVJWMRIPWFK-UHFFFAOYSA-J
MW330.06 g/mol
LogP-20.04
Rot. Bonds1

About tetrasodium;ethane-1,2-diol;oxalate

tetrasodium;ethane-1,2-diol;oxalate (PubChem CID 175096123) has the molecular formula C6H6Na4O10 and a molecular weight of 330.06 g/mol. Its IUPAC name is tetrasodium;ethane-1,2-diol;oxalate.

Molecular Properties

Compound Nametetrasodium;ethane-1,2-diol;oxalate
PubChem CID175096123
Molecular FormulaC6H6Na4O10
Molecular Weight330.06 g/mol
Exact Mass329.96
IUPAC Nametetrasodium;ethane-1,2-diol;oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].OCCO.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C2H2O4.C2H6O2.4Na/c2*3-1(4)2(5)6;3-1-2-4;;;;/h2*(H,3,4)(H,5,6);3-4H,1-2H2;;;;/q;;;4*+1/p-4
InChIKeyPIMJVJWMRIPWFK-UHFFFAOYSA-J
XLogP-20.04
TPSA200.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.06
LogP ≤ 5-20.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tetrasodium;ethane-1,2-diol;oxalate 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

ethane-1,2-diol;bis(niobium(5+));oxalate
CID 158185859
magnesium;sodium;oxalate
CID 157163554
disodium;oxalate;tungsten
CID 173190940
ethane-1,2-diol carbamate
CID 18944668
sodium;acetic acid;ethane-1,2-diol;acetate
CID 174903059
strontium;ethane-1,2-diol;diacetate
CID 159361133
sodium;ethane-1,2-diol;hydrogen sulfite
CID 23678211
tetraazanium oxalate
CID 22167731
dipotassium;zinc;oxalate
CID 173075091
chromium(6+);oxalate
CID 138397959
dipotassium;disodium;dicarbonate
CID 23505264
cesium oxalate
CID 53436195

Frequently Asked Questions

What is the IUPAC name of tetrasodium;ethane-1,2-diol;oxalate?
The IUPAC name of tetrasodium;ethane-1,2-diol;oxalate (CID 175096123) is tetrasodium;ethane-1,2-diol;oxalate.
What is the SMILES notation for tetrasodium;ethane-1,2-diol;oxalate?
The canonical SMILES for tetrasodium;ethane-1,2-diol;oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].OCCO.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;ethane-1,2-diol;oxalate?
The InChIKey is PIMJVJWMRIPWFK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H2O4.C2H6O2.4Na/c2*3-1(4)2(5)6;3-1-2-4;;;;/h2*(H,3,4)(H,5,6);3-4H,1-2H2;;;;/q;;;4*+1/p-4.
What are the key properties of tetrasodium;ethane-1,2-diol;oxalate?
tetrasodium;ethane-1,2-diol;oxalate has a molecular weight of 330.06 g/mol, XLogP of -20.04, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;ethane-1,2-diol;oxalate is sourced from PubChem (CID 175096123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).