trizinc;molybdenum;tetraphosphate

MoO16P4Zn3-6 — CID 173011441

IUPACtrizinc;molybdenum;tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mo].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/Mo.4H3O4P.3Zn/c;4*1-5(2,3)4;;;/h;4*(H3,1,2,3,4);;;/q;;;;;3*+2/p-12
InChIKeyWLJSKWVUSRXUBL-UHFFFAOYSA-B
MW671.99 g/mol
LogP-11.31
Rot. Bonds

About trizinc;molybdenum;tetraphosphate

trizinc;molybdenum;tetraphosphate (PubChem CID 173011441) has the molecular formula MoO16P4Zn3-6 and a molecular weight of 671.99 g/mol. Its IUPAC name is trizinc;molybdenum;tetraphosphate.

Molecular Properties

Compound Nametrizinc;molybdenum;tetraphosphate
PubChem CID173011441
Molecular FormulaMoO16P4Zn3-6
Molecular Weight671.99 g/mol
Exact Mass669.51
IUPAC Nametrizinc;molybdenum;tetraphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mo].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/Mo.4H3O4P.3Zn/c;4*1-5(2,3)4;;;/h;4*(H3,1,2,3,4);;;/q;;;;;3*+2/p-12
InChIKeyWLJSKWVUSRXUBL-UHFFFAOYSA-B
XLogP-11.31
TPSA345.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.99
LogP ≤ 5-11.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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 trizinc;molybdenum;tetraphosphate?
The IUPAC name of trizinc;molybdenum;tetraphosphate (CID 173011441) is trizinc;molybdenum;tetraphosphate.
What is the SMILES notation for trizinc;molybdenum;tetraphosphate?
The canonical SMILES for trizinc;molybdenum;tetraphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mo].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;molybdenum;tetraphosphate?
The InChIKey is WLJSKWVUSRXUBL-UHFFFAOYSA-B. The full InChI is InChI=1S/Mo.4H3O4P.3Zn/c;4*1-5(2,3)4;;;/h;4*(H3,1,2,3,4);;;/q;;;;;3*+2/p-12.
What are the key properties of trizinc;molybdenum;tetraphosphate?
trizinc;molybdenum;tetraphosphate has a molecular weight of 671.99 g/mol, XLogP of -11.31, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;molybdenum;tetraphosphate is sourced from PubChem (CID 173011441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).