tris(thorium(4+));tetraphosphate

O16P4Th3 — CID 21475626

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

About tris(thorium(4+));tetraphosphate

tris(thorium(4+));tetraphosphate (PubChem CID 21475626) has the molecular formula O16P4Th3 and a molecular weight of 1075.99 g/mol. Its IUPAC name is tris(thorium(4+));tetraphosphate.

Molecular Properties

Compound Nametris(thorium(4+));tetraphosphate
PubChem CID21475626
Molecular FormulaO16P4Th3
Molecular Weight1075.99 g/mol
Exact Mass1075.93
IUPAC Nametris(thorium(4+));tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Th+4].[Th+4].[Th+4]
InChIInChI=1S/4H3O4P.3Th/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+4/p-12
InChIKeyIPIGTJPBWJEROO-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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Related Compounds

molybdenum diphosphate
CID 22395595
octadecaazanium;hexaphosphate
CID 158249396
methane phosphate
CID 22352647
CID 23618823
CID 23618823
zinc phosphate
CID 131721340
dipotassium diphosphate
CID 18612384
CID 23618830
CID 23618830
sodium phosphate
CID 21225609
hydron;phosphate
CID 19972274
gadolinium phosphate
CID 6365243
dysprosium(3+) phosphate
CID 14671408
bis(manganese(2+)) diphosphate
CID 21124543

Frequently Asked Questions

What is the IUPAC name of tris(thorium(4+));tetraphosphate?
The IUPAC name of tris(thorium(4+));tetraphosphate (CID 21475626) is tris(thorium(4+));tetraphosphate.
What is the SMILES notation for tris(thorium(4+));tetraphosphate?
The canonical SMILES for tris(thorium(4+));tetraphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Th+4].[Th+4].[Th+4].
What is the InChIKey of tris(thorium(4+));tetraphosphate?
The InChIKey is IPIGTJPBWJEROO-UHFFFAOYSA-B. The full InChI is InChI=1S/4H3O4P.3Th/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+4/p-12.
What are the key properties of tris(thorium(4+));tetraphosphate?
tris(thorium(4+));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(4+));tetraphosphate is sourced from PubChem (CID 21475626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).