dizinc;tetrakis(dihydrogen phosphate)

H8O16P4Zn2 — CID 161370337

IUPACdizinc;tetrakis(dihydrogen phosphate)
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Zn+2].[Zn+2]
InChIInChI=1S/4H3O4P.2Zn/c4*1-5(2,3)4;;/h4*(H3,1,2,3,4);;/q;;;;2*+2/p-4
InChIKeyVQJMFDIGQTWCHW-UHFFFAOYSA-J
MW518.72 g/mol
LogP-6.25
Rot. Bonds

About dizinc;tetrakis(dihydrogen phosphate)

dizinc;tetrakis(dihydrogen phosphate) (PubChem CID 161370337) has the molecular formula H8O16P4Zn2 and a molecular weight of 518.72 g/mol. Its IUPAC name is dizinc;tetrakis(dihydrogen phosphate).

Molecular Properties

Compound Namedizinc;tetrakis(dihydrogen phosphate)
PubChem CID161370337
Molecular FormulaH8O16P4Zn2
Molecular Weight518.72 g/mol
Exact Mass515.73
IUPAC Namedizinc;tetrakis(dihydrogen phosphate)
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Zn+2].[Zn+2]
InChIInChI=1S/4H3O4P.2Zn/c4*1-5(2,3)4;;/h4*(H3,1,2,3,4);;/q;;;;2*+2/p-4
InChIKeyVQJMFDIGQTWCHW-UHFFFAOYSA-J
XLogP-6.25
TPSA322.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.72
LogP ≤ 5-6.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(dihydrogen phosphate)
CID 11253952
zinc;dihydrogen phosphate;fluoride
CID 160735585
azanium;zinc;dihydrogen phosphate;oxygen(2-)
CID 160778942
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
sodium dihydroxy(32P)phosphinate
CID 23694678
lithium;dihydrogen phosphate;dihydrate
CID 162740177
disodium;dihydrogen phosphate;fluoride
CID 159057923
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
disodium;dihydrogen phosphate;hydride
CID 160585046
tris(dihydrogen phosphate);oxygen(2-);vanadium
CID 53241738

Frequently Asked Questions

What is the IUPAC name of dizinc;tetrakis(dihydrogen phosphate)?
The IUPAC name of dizinc;tetrakis(dihydrogen phosphate) (CID 161370337) is dizinc;tetrakis(dihydrogen phosphate).
What is the SMILES notation for dizinc;tetrakis(dihydrogen phosphate)?
The canonical SMILES for dizinc;tetrakis(dihydrogen phosphate) is O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;tetrakis(dihydrogen phosphate)?
The InChIKey is VQJMFDIGQTWCHW-UHFFFAOYSA-J. The full InChI is InChI=1S/4H3O4P.2Zn/c4*1-5(2,3)4;;/h4*(H3,1,2,3,4);;/q;;;;2*+2/p-4.
What are the key properties of dizinc;tetrakis(dihydrogen phosphate)?
dizinc;tetrakis(dihydrogen phosphate) has a molecular weight of 518.72 g/mol, XLogP of -6.25, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tetrakis(dihydrogen phosphate) is sourced from PubChem (CID 161370337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).