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

H8O16P4Tl4 — CID 139063709

IUPACtetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Tl+].[Tl+].[Tl+].[Tl+]
InChIInChI=1S/4H3O4P.4Tl/c4*1-5(2,3)4;;;;/h4*(H3,1,2,3,4);;;;/q;;;;4*+1/p-4
InChIKeyNKVAYXPRGHFVOY-UHFFFAOYSA-J
MW1205.48 g/mol
LogP-7.77
Rot. Bonds

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 Nametetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
PubChem CID139063709
Molecular FormulaH8O16P4Tl4
Molecular Weight1205.48 g/mol
Exact Mass1207.77
IUPAC Nametetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Tl+].[Tl+].[Tl+].[Tl+]
InChIInChI=1S/4H3O4P.4Tl/c4*1-5(2,3)4;;;;/h4*(H3,1,2,3,4);;;;/q;;;;4*+1/p-4
InChIKeyNKVAYXPRGHFVOY-UHFFFAOYSA-J
XLogP-7.77
TPSA322.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.48
LogP ≤ 5-7.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(dihydrogen phosphate);tetrakis(thallium(1+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
zinc bis(dihydrogen phosphate)
CID 11253952
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
sodium dihydroxy(32P)phosphinate
CID 23694678
disodium;dihydrogen phosphate;hydride
CID 160585046
lithium;dihydrogen phosphate;dihydrate
CID 162740177
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
disodium;dihydrogen phosphate;fluoride
CID 159057923
tris(dihydrogen phosphate);oxygen(2-);vanadium
CID 53241738
magnesium;dihydrogen phosphate;tetrahydrate
CID 23118847
lithium;dihydrogen phosphate;hydrate
CID 162740181

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).