tris(thorium(2+));tetraphosphate

O16P4Th3-6 — CID 139597912

IUPACtris(thorium(2+));tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Th+2].[Th+2].[Th+2]
InChIInChI=1S/4H3O4P.3Th/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+2/p-12
InChIKeyXVLNQEYWQCJFRI-UHFFFAOYSA-B
MW1075.99 g/mol
LogP-11.30
Rot. Bonds

About tris(thorium(2+));tetraphosphate

tris(thorium(2+));tetraphosphate (PubChem CID 139597912) has the molecular formula O16P4Th3-6 and a molecular weight of 1075.99 g/mol. Its IUPAC name is tris(thorium(2+));tetraphosphate.

Molecular Properties

Compound Nametris(thorium(2+));tetraphosphate
PubChem CID139597912
Molecular FormulaO16P4Th3-6
Molecular Weight1075.99 g/mol
Exact Mass1075.93
IUPAC Nametris(thorium(2+));tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Th+2].[Th+2].[Th+2]
InChIInChI=1S/4H3O4P.3Th/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+2/p-12
InChIKeyXVLNQEYWQCJFRI-UHFFFAOYSA-B
XLogP-11.30
TPSA345.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.99
LogP ≤ 5-11.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(thorium(2+));tetraphosphate?
The IUPAC name of tris(thorium(2+));tetraphosphate (CID 139597912) is tris(thorium(2+));tetraphosphate.
What is the SMILES notation for tris(thorium(2+));tetraphosphate?
The canonical SMILES for tris(thorium(2+));tetraphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Th+2].[Th+2].[Th+2].
What is the InChIKey of tris(thorium(2+));tetraphosphate?
The InChIKey is XVLNQEYWQCJFRI-UHFFFAOYSA-B. The full InChI is InChI=1S/4H3O4P.3Th/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+2/p-12.
What are the key properties of tris(thorium(2+));tetraphosphate?
tris(thorium(2+));tetraphosphate has a molecular weight of 1075.99 g/mol, XLogP of -11.30, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tris(thorium(2+));tetraphosphate is sourced from PubChem (CID 139597912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).