trizinc;diphosphate;tetrahydrate

H8O12P2Zn3 — CID 19973792

IUPACtrizinc;diphosphate;tetrahydrate
SMILESO.O.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2H3O4P.4H2O.3Zn/c2*1-5(2,3)4;;;;;;;/h2*(H3,1,2,3,4);4*1H2;;;/q;;;;;;3*+2/p-6
InChIKeySPDJAIKMJHJYAV-UHFFFAOYSA-H
MW458.17 g/mol
LogP-8.96
Rot. Bonds

About trizinc;diphosphate;tetrahydrate

trizinc;diphosphate;tetrahydrate (PubChem CID 19973792) has the molecular formula H8O12P2Zn3 and a molecular weight of 458.17 g/mol. Its IUPAC name is trizinc;diphosphate;tetrahydrate.

Molecular Properties

Compound Nametrizinc;diphosphate;tetrahydrate
PubChem CID19973792
Molecular FormulaH8O12P2Zn3
Molecular Weight458.17 g/mol
Exact Mass453.74
IUPAC Nametrizinc;diphosphate;tetrahydrate
SMILESO.O.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2H3O4P.4H2O.3Zn/c2*1-5(2,3)4;;;;;;;/h2*(H3,1,2,3,4);4*1H2;;;/q;;;;;;3*+2/p-6
InChIKeySPDJAIKMJHJYAV-UHFFFAOYSA-H
XLogP-8.96
TPSA298.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.17
LogP ≤ 5-8.96
H-Bond Donors ≤ 50
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

Triphosphoric acid
CID 983
Magnesium phosphate (USP)
CID 23724945
Zinc dihydrogen phosphate
CID 11253952
Phosphoric acid, cadmium salt (1:?)
CID 161000
Triphosphate(1-)
CID 23657868
Dichromium tris(hydrogen phosphate)
CID 173671
Phosphate, dihydrogen, phosphate (1:1)
CID 5289183
Vivianite
CID 73357782
Zinc(II) phosphate xhydrate
CID 20270840
Magnesium hypophosphite 6-hydrate
CID 21694861
Phosphono dihydrogen phosphate;ZINC
CID 159712525
Pentazinc hydroxide tris(phosphate)
CID 6453976

Frequently Asked Questions

What is the IUPAC name of trizinc;diphosphate;tetrahydrate?
The IUPAC name of trizinc;diphosphate;tetrahydrate (CID 19973792) is trizinc;diphosphate;tetrahydrate.
What is the SMILES notation for trizinc;diphosphate;tetrahydrate?
The canonical SMILES for trizinc;diphosphate;tetrahydrate is O.O.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;diphosphate;tetrahydrate?
The InChIKey is SPDJAIKMJHJYAV-UHFFFAOYSA-H. The full InChI is InChI=1S/2H3O4P.4H2O.3Zn/c2*1-5(2,3)4;;;;;;;/h2*(H3,1,2,3,4);4*1H2;;;/q;;;;;;3*+2/p-6.
What are the key properties of trizinc;diphosphate;tetrahydrate?
trizinc;diphosphate;tetrahydrate has a molecular weight of 458.17 g/mol, XLogP of -8.96, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;diphosphate;tetrahydrate is sourced from PubChem (CID 19973792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).