hydron;niobium(5+);oxalate

C10H5NbO20 — CID 173431799

IUPAChydron;niobium(5+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[H+].[H+].[H+].[H+].[H+].[Nb+5]
InChIInChI=1S/5C2H2O4.Nb/c5*3-1(4)2(5)6;/h5*(H,3,4)(H,5,6);/q;;;;;+5/p-5
InChIKeyAXIFGFAGYFPNFC-UHFFFAOYSA-I
MW538.04 g/mol
LogP-17.01
Rot. Bonds

About hydron;niobium(5+);oxalate

hydron;niobium(5+);oxalate (PubChem CID 173431799) has the molecular formula C10H5NbO20 and a molecular weight of 538.04 g/mol. Its IUPAC name is hydron;niobium(5+);oxalate.

Molecular Properties

Compound Namehydron;niobium(5+);oxalate
PubChem CID173431799
Molecular FormulaC10H5NbO20
Molecular Weight538.04 g/mol
Exact Mass537.84
IUPAC Namehydron;niobium(5+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[H+].[H+].[H+].[H+].[H+].[Nb+5]
InChIInChI=1S/5C2H2O4.Nb/c5*3-1(4)2(5)6;/h5*(H,3,4)(H,5,6);/q;;;;;+5/p-5
InChIKeyAXIFGFAGYFPNFC-UHFFFAOYSA-I
XLogP-17.01
TPSA401.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.04
LogP ≤ 5-17.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

hydron;oxalate;rubidium(1+)
CID 18408012
barium(2+);hydron;oxalate
CID 173256808
lithium;hydron;oxalate
CID 22141737
oxalate;platinum(2+)
CID 22066175
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
cesium oxalate
CID 53436195
oxalate;bis(ruthenium(3+))
CID 57371303
dipotassium;zinc;oxalate
CID 173075091
diazanium;oxalate
CID 14213
oxalate;silicon(4+)
CID 19840044

Frequently Asked Questions

What is the IUPAC name of hydron;niobium(5+);oxalate?
The IUPAC name of hydron;niobium(5+);oxalate (CID 173431799) is hydron;niobium(5+);oxalate.
What is the SMILES notation for hydron;niobium(5+);oxalate?
The canonical SMILES for hydron;niobium(5+);oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[H+].[H+].[H+].[H+].[H+].[Nb+5].
What is the InChIKey of hydron;niobium(5+);oxalate?
The InChIKey is AXIFGFAGYFPNFC-UHFFFAOYSA-I. The full InChI is InChI=1S/5C2H2O4.Nb/c5*3-1(4)2(5)6;/h5*(H,3,4)(H,5,6);/q;;;;;+5/p-5.
What are the key properties of hydron;niobium(5+);oxalate?
hydron;niobium(5+);oxalate has a molecular weight of 538.04 g/mol, XLogP of -17.01, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;niobium(5+);oxalate is sourced from PubChem (CID 173431799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).