tetrakis(niobium(5+));phosphonato phosphate

Nb4O35P10 — CID 158810674

IUPACtetrakis(niobium(5+));phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/4Nb.5H4O7P2/c;;;;5*1-8(2,3)7-9(4,5)6/h;;;;5*(H2,1,2,3)(H2,4,5,6)/q4*+5;;;;;/p-20
InChIKeyIUQLNBKXRLDBEA-UHFFFAOYSA-A
MW1241.33 g/mol
LogP-16.71
Rot. Bonds10

About tetrakis(niobium(5+));phosphonato phosphate

tetrakis(niobium(5+));phosphonato phosphate (PubChem CID 158810674) has the molecular formula Nb4O35P10 and a molecular weight of 1241.33 g/mol. Its IUPAC name is tetrakis(niobium(5+));phosphonato phosphate.

Molecular Properties

Compound Nametetrakis(niobium(5+));phosphonato phosphate
PubChem CID158810674
Molecular FormulaNb4O35P10
Molecular Weight1241.33 g/mol
Exact Mass1241.19
IUPAC Nametetrakis(niobium(5+));phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/4Nb.5H4O7P2/c;;;;5*1-8(2,3)7-9(4,5)6/h;;;;5*(H2,1,2,3)(H2,4,5,6)/q4*+5;;;;;/p-20
InChIKeyIUQLNBKXRLDBEA-UHFFFAOYSA-A
XLogP-16.71
TPSA678.05 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.33
LogP ≤ 5-16.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(niobium(5+));phosphonato phosphate?
The IUPAC name of tetrakis(niobium(5+));phosphonato phosphate (CID 158810674) is tetrakis(niobium(5+));phosphonato phosphate.
What is the SMILES notation for tetrakis(niobium(5+));phosphonato phosphate?
The canonical SMILES for tetrakis(niobium(5+));phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Nb+5].[Nb+5].[Nb+5].[Nb+5].
What is the InChIKey of tetrakis(niobium(5+));phosphonato phosphate?
The InChIKey is IUQLNBKXRLDBEA-UHFFFAOYSA-A. The full InChI is InChI=1S/4Nb.5H4O7P2/c;;;;5*1-8(2,3)7-9(4,5)6/h;;;;5*(H2,1,2,3)(H2,4,5,6)/q4*+5;;;;;/p-20.
What are the key properties of tetrakis(niobium(5+));phosphonato phosphate?
tetrakis(niobium(5+));phosphonato phosphate has a molecular weight of 1241.33 g/mol, XLogP of -16.71, 10 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(niobium(5+));phosphonato phosphate is sourced from PubChem (CID 158810674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).