Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))

H₈O₁₆P₄Tl₄ — CID 139063709

About Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))

Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)) (PubChem CID 139063709) has the molecular formula H₈O₁₆P₄Tl₄ and a molecular weight of 1205.48 g/mol. Its IUPAC name is tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)).

Molecular Properties

• Compound Name: Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
• PubChem CID: 139063709
• Molecular Formula: H₈O₁₆P₄Tl₄
• Molecular Weight: 1205.48 g/mol
• Exact Mass: 1207.77
• IUPAC Name: tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
• SMILES: O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Tl+].[Tl+].[Tl+].[Tl+]
• InChI: InChI=1S/4H3O4P.4Tl/c4*1-5(2,3)4;;;;/h4*(H3,1,2,3,4);;;;/q;;;;4*+1/p-4
• InChIKey: NKVAYXPRGHFVOY-UHFFFAOYSA-J
• XLogP: -7.77
• TPSA: 322.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.48
LogP ≤ 5	-7.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))?

The IUPAC name of Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)) (CID 139063709) is tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)).

What is the SMILES notation for Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))?

The canonical SMILES for Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)) is O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Tl+].[Tl+].[Tl+].[Tl+].

What is the InChIKey of Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))?

The InChIKey is NKVAYXPRGHFVOY-UHFFFAOYSA-J. The full InChI is InChI=1S/4H3O4P.4Tl/c4*1-5(2,3)4;;;;/h4*(H3,1,2,3,4);;;;/q;;;;4*+1/p-4.

What are the key properties of Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))?

Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)) has a molecular weight of 1205.48 g/mol, XLogP of -7.77, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)) is sourced from PubChem (CID 139063709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139063709 — identifiers, structure, computed properties (public domain)

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