pentazinc;hydroxide;triphosphate

HO13P3Zn5 — CID 6453976

IUPACpentazinc;hydroxide;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/3H3O4P.H2O.5Zn/c3*1-5(2,3)4;;;;;;/h3*(H3,1,2,3,4);1H2;;;;;/q;;;;5*+2/p-10
InChIKeyXZDVQZDZOXPGBB-UHFFFAOYSA-D
MW628.87 g/mol
LogP-8.66
Rot. Bonds

About pentazinc;hydroxide;triphosphate

pentazinc;hydroxide;triphosphate (PubChem CID 6453976) has the molecular formula HO13P3Zn5 and a molecular weight of 628.87 g/mol. Its IUPAC name is pentazinc;hydroxide;triphosphate.

Molecular Properties

Compound Namepentazinc;hydroxide;triphosphate
PubChem CID6453976
Molecular FormulaHO13P3Zn5
Molecular Weight628.87 g/mol
Exact Mass621.51
IUPAC Namepentazinc;hydroxide;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/3H3O4P.H2O.5Zn/c3*1-5(2,3)4;;;;;;/h3*(H3,1,2,3,4);1H2;;;;;/q;;;;5*+2/p-10
InChIKeyXZDVQZDZOXPGBB-UHFFFAOYSA-D
XLogP-8.66
TPSA288.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.87
LogP ≤ 5-8.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentazinc;hydroxide;triphosphate?
The IUPAC name of pentazinc;hydroxide;triphosphate (CID 6453976) is pentazinc;hydroxide;triphosphate.
What is the SMILES notation for pentazinc;hydroxide;triphosphate?
The canonical SMILES for pentazinc;hydroxide;triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of pentazinc;hydroxide;triphosphate?
The InChIKey is XZDVQZDZOXPGBB-UHFFFAOYSA-D. The full InChI is InChI=1S/3H3O4P.H2O.5Zn/c3*1-5(2,3)4;;;;;;/h3*(H3,1,2,3,4);1H2;;;;;/q;;;;5*+2/p-10.
What are the key properties of pentazinc;hydroxide;triphosphate?
pentazinc;hydroxide;triphosphate has a molecular weight of 628.87 g/mol, XLogP of -8.66, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for pentazinc;hydroxide;triphosphate is sourced from PubChem (CID 6453976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).