heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)

Nb7O80P25 — CID 160558470

IUPACheptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/7Nb.5H7O16P5/c;;;;;;;5*1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h;;;;;;;5*(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/q7*+5;;;;;/p-35
InChIKeyQYZOGTBJDYTONK-UHFFFAOYSA-A
MW2704.61 g/mol
LogP-24.44
Rot. Bonds40

About heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)

heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) (PubChem CID 160558470) has the molecular formula Nb7O80P25 and a molecular weight of 2704.61 g/mol. Its IUPAC name is heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate).

Molecular Properties

Compound Nameheptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
PubChem CID160558470
Molecular FormulaNb7O80P25
Molecular Weight2704.61 g/mol
Exact Mass2704.28
IUPAC Nameheptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/7Nb.5H7O16P5/c;;;;;;;5*1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h;;;;;;;5*(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/q7*+5;;;;;/p-35
InChIKeyQYZOGTBJDYTONK-UHFFFAOYSA-A
XLogP-24.44
TPSA1418.45 Ų
H-Bond Donors
H-Bond Acceptors80
Rotatable Bonds40
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002704.61
LogP ≤ 5-24.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1080

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?
The IUPAC name of heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) (CID 160558470) is heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate).
What is the SMILES notation for heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?
The canonical SMILES for heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].
What is the InChIKey of heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?
The InChIKey is QYZOGTBJDYTONK-UHFFFAOYSA-A. The full InChI is InChI=1S/7Nb.5H7O16P5/c;;;;;;;5*1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h;;;;;;;5*(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/q7*+5;;;;;/p-35.
What are the key properties of heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?
heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) has a molecular weight of 2704.61 g/mol, XLogP of -24.44, 40 rotatable bonds, 0 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(niobium(5+));pentakis([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) is sourced from PubChem (CID 160558470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).