phosphonato phosphate;tetrakis(thallium(1+))

O7P2Tl4 — CID 22764813

IUPACphosphonato phosphate;tetrakis(thallium(1+))
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Tl+].[Tl+].[Tl+].[Tl+]
InChIInChI=1S/H4O7P2.4Tl/c1-8(2,3)7-9(4,5)6;;;;/h(H2,1,2,3)(H2,4,5,6);;;;/q;4*+1/p-4
InChIKeyVKPDSNNPYGQGKL-UHFFFAOYSA-J
MW991.47 g/mol
LogP-4.86
Rot. Bonds2

About phosphonato phosphate;tetrakis(thallium(1+))

phosphonato phosphate;tetrakis(thallium(1+)) (PubChem CID 22764813) has the molecular formula O7P2Tl4 and a molecular weight of 991.47 g/mol. Its IUPAC name is phosphonato phosphate;tetrakis(thallium(1+)).

Molecular Properties

Compound Namephosphonato phosphate;tetrakis(thallium(1+))
PubChem CID22764813
Molecular FormulaO7P2Tl4
Molecular Weight991.47 g/mol
Exact Mass993.81
IUPAC Namephosphonato phosphate;tetrakis(thallium(1+))
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Tl+].[Tl+].[Tl+].[Tl+]
InChIInChI=1S/H4O7P2.4Tl/c1-8(2,3)7-9(4,5)6;;;;/h(H2,1,2,3)(H2,4,5,6);;;;/q;4*+1/p-4
InChIKeyVKPDSNNPYGQGKL-UHFFFAOYSA-J
XLogP-4.86
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500991.47
LogP ≤ 5-4.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate
CID 644102
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;decahydrate
CID 22385493
phosphonato phosphate;bis(titanium(4+))
CID 158284224
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
mercury;phosphonato phosphate
CID 157352193
sodium;chromium(3+);phosphonato phosphate
CID 159071425
copper;disodium;phosphonato phosphate
CID 173106560
calcium;strontium;phosphonato phosphate
CID 22266905

Frequently Asked Questions

What is the IUPAC name of phosphonato phosphate;tetrakis(thallium(1+))?
The IUPAC name of phosphonato phosphate;tetrakis(thallium(1+)) (CID 22764813) is phosphonato phosphate;tetrakis(thallium(1+)).
What is the SMILES notation for phosphonato phosphate;tetrakis(thallium(1+))?
The canonical SMILES for phosphonato phosphate;tetrakis(thallium(1+)) is O=P([O-])([O-])OP(=O)([O-])[O-].[Tl+].[Tl+].[Tl+].[Tl+].
What is the InChIKey of phosphonato phosphate;tetrakis(thallium(1+))?
The InChIKey is VKPDSNNPYGQGKL-UHFFFAOYSA-J. The full InChI is InChI=1S/H4O7P2.4Tl/c1-8(2,3)7-9(4,5)6;;;;/h(H2,1,2,3)(H2,4,5,6);;;;/q;4*+1/p-4.
What are the key properties of phosphonato phosphate;tetrakis(thallium(1+))?
phosphonato phosphate;tetrakis(thallium(1+)) has a molecular weight of 991.47 g/mol, XLogP of -4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonato phosphate;tetrakis(thallium(1+)) is sourced from PubChem (CID 22764813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).