dioxidanium;oxalic acid;oxoniobium

C4H10NbO11+2 — CID 50918696

IUPACdioxidanium;oxalic acid;oxoniobium
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=[Nb].[OH3+].[OH3+]
InChIInChI=1S/2C2H2O4.Nb.2H2O.O/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;2*1H2;/p+2
InChIKeyDAGWEVHTEHYONO-UHFFFAOYSA-P
MW327.02 g/mol
LogP-3.65
Rot. Bonds

About dioxidanium;oxalic acid;oxoniobium

dioxidanium;oxalic acid;oxoniobium (PubChem CID 50918696) has the molecular formula C4H10NbO11+2 and a molecular weight of 327.02 g/mol. Its IUPAC name is dioxidanium;oxalic acid;oxoniobium.

Molecular Properties

Compound Namedioxidanium;oxalic acid;oxoniobium
PubChem CID50918696
Molecular FormulaC4H10NbO11+2
Molecular Weight327.02 g/mol
Exact Mass326.93
IUPAC Namedioxidanium;oxalic acid;oxoniobium
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=[Nb].[OH3+].[OH3+]
InChIInChI=1S/2C2H2O4.Nb.2H2O.O/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;2*1H2;/p+2
InChIKeyDAGWEVHTEHYONO-UHFFFAOYSA-P
XLogP-3.65
TPSA232.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.02
LogP ≤ 5-3.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 54611841
oxalic acid;trihydrochloride
CID 140553783
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CID 87427078
oxalic acid;hydrochloride
CID 173369286
oxalic acid;thorium
CID 25199595
europium;oxalic acid
CID 90472147
lithium;oxalic acid;chloride
CID 175547992
azane;iron;oxalic acid
CID 87090690
cerium;oxalic acid;decahydrate
CID 175012984
oxalic acid;zirconium;hydrate
CID 91886498
indigane;λ2-stannane;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of dioxidanium;oxalic acid;oxoniobium?
The IUPAC name of dioxidanium;oxalic acid;oxoniobium (CID 50918696) is dioxidanium;oxalic acid;oxoniobium.
What is the SMILES notation for dioxidanium;oxalic acid;oxoniobium?
The canonical SMILES for dioxidanium;oxalic acid;oxoniobium is O=C(O)C(=O)O.O=C(O)C(=O)O.O=[Nb].[OH3+].[OH3+].
What is the InChIKey of dioxidanium;oxalic acid;oxoniobium?
The InChIKey is DAGWEVHTEHYONO-UHFFFAOYSA-P. The full InChI is InChI=1S/2C2H2O4.Nb.2H2O.O/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;2*1H2;/p+2.
What are the key properties of dioxidanium;oxalic acid;oxoniobium?
dioxidanium;oxalic acid;oxoniobium has a molecular weight of 327.02 g/mol, XLogP of -3.65, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;oxalic acid;oxoniobium is sourced from PubChem (CID 50918696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).