oxoniobium;phosphoric acid

H3NbO5P — CID 174337066

IUPACoxoniobium;phosphoric acid
SMILESO=P(O)(O)O.O=[Nb]
InChIInChI=1S/Nb.H3O4P.O/c;1-5(2,3)4;/h;(H3,1,2,3,4);
InChIKeyKTMBRQSHVYLVQE-UHFFFAOYSA-N
MW206.90 g/mol
LogP-1.05
Rot. Bonds

About oxoniobium;phosphoric acid

oxoniobium;phosphoric acid (PubChem CID 174337066) has the molecular formula H3NbO5P and a molecular weight of 206.90 g/mol. Its IUPAC name is oxoniobium;phosphoric acid.

Molecular Properties

Compound Nameoxoniobium;phosphoric acid
PubChem CID174337066
Molecular FormulaH3NbO5P
Molecular Weight206.90 g/mol
Exact Mass206.88
IUPAC Nameoxoniobium;phosphoric acid
SMILESO=P(O)(O)O.O=[Nb]
InChIInChI=1S/Nb.H3O4P.O/c;1-5(2,3)4;/h;(H3,1,2,3,4);
InChIKeyKTMBRQSHVYLVQE-UHFFFAOYSA-N
XLogP-1.05
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.90
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;phosphoric acid
CID 18515646
phosphane;phosphoric acid
CID 172840180
phosphoric acid;hydrate
CID 22023151
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
CID 173050648
CID 173050648
cerium;phosphoric acid
CID 90659592
iron;phosphoric acid
CID 174838016
methane;phosphoric acid
CID 173400304
phosphane;phosphoric acid
CID 173160232
phosphoric acid;xenon
CID 159732465
phosphoric acid;zinc
CID 173400996

Frequently Asked Questions

What is the IUPAC name of oxoniobium;phosphoric acid?
The IUPAC name of oxoniobium;phosphoric acid (CID 174337066) is oxoniobium;phosphoric acid.
What is the SMILES notation for oxoniobium;phosphoric acid?
The canonical SMILES for oxoniobium;phosphoric acid is O=P(O)(O)O.O=[Nb].
What is the InChIKey of oxoniobium;phosphoric acid?
The InChIKey is KTMBRQSHVYLVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/Nb.H3O4P.O/c;1-5(2,3)4;/h;(H3,1,2,3,4);.
What are the key properties of oxoniobium;phosphoric acid?
oxoniobium;phosphoric acid has a molecular weight of 206.90 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxoniobium;phosphoric acid is sourced from PubChem (CID 174337066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).