tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate

O21P3V3Y4 — CID 173031081

IUPACtris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=[V](=O)[O-].O=[V](=O)[O-].O=[V](=O)[O-].[Y+3].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/3H3O4P.9O.3V.4Y/c3*1-5(2,3)4;;;;;;;;;;;;;;;;/h3*(H3,1,2,3,4);;;;;;;;;;;;;;;;/q;;;;;;;;;3*-1;;;;4*+3/p-9
InChIKeyMGRASHHFEKEVEU-UHFFFAOYSA-E
MW937.36 g/mol
LogP-12.77
Rot. Bonds

About tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate

tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate (PubChem CID 173031081) has the molecular formula O21P3V3Y4 and a molecular weight of 937.36 g/mol. Its IUPAC name is tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate.

Molecular Properties

Compound Nametris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate
PubChem CID173031081
Molecular FormulaO21P3V3Y4
Molecular Weight937.36 g/mol
Exact Mass937.27
IUPAC Nametris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=[V](=O)[O-].O=[V](=O)[O-].O=[V](=O)[O-].[Y+3].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/3H3O4P.9O.3V.4Y/c3*1-5(2,3)4;;;;;;;;;;;;;;;;/h3*(H3,1,2,3,4);;;;;;;;;;;;;;;;/q;;;;;;;;;3*-1;;;;4*+3/p-9
InChIKeyMGRASHHFEKEVEU-UHFFFAOYSA-E
XLogP-12.77
TPSA430.35 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.36
LogP ≤ 5-12.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

bis(lead(2+));oxido(dioxo)vanadium;phosphate
CID 173362497
molybdenum;tris(vanadium);undecaphosphate
CID 18374020
iron(2+);vanadium;phosphate
CID 161404420
dizinc;vanadium;triphosphate
CID 173037971
oxygen(2-);vanadium;phosphate
CID 10313253
strontium;yttrium(3+);phosphate
CID 159676136
calcium;manganese(2+);vanadium;triphosphate
CID 174881340
erbium(3+);yttrium(3+);diphosphate;hydrate
CID 173185907
vanadium;zirconium(4+);triphosphate;hydrofluoride
CID 159179895
potassium;vanadium;diphosphate;hydrofluoride
CID 174909509
tris(iron(3+));tris(lead(2+));tris(vanadium);decaphosphate
CID 173269238
phosphate octahydrate
CID 22485829

Frequently Asked Questions

What is the IUPAC name of tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate?
The IUPAC name of tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate (CID 173031081) is tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate.
What is the SMILES notation for tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate?
The canonical SMILES for tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=[V](=O)[O-].O=[V](=O)[O-].O=[V](=O)[O-].[Y+3].[Y+3].[Y+3].[Y+3].
What is the InChIKey of tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate?
The InChIKey is MGRASHHFEKEVEU-UHFFFAOYSA-E. The full InChI is InChI=1S/3H3O4P.9O.3V.4Y/c3*1-5(2,3)4;;;;;;;;;;;;;;;;/h3*(H3,1,2,3,4);;;;;;;;;;;;;;;;/q;;;;;;;;;3*-1;;;;4*+3/p-9.
What are the key properties of tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate?
tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate has a molecular weight of 937.36 g/mol, XLogP of -12.77, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(oxido(dioxo)vanadium);tetrakis(yttrium(3+));triphosphate is sourced from PubChem (CID 173031081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).