calcium;manganese(2+);vanadium;triphosphate

CaMnO12P3V-5 — CID 174881340

IUPACcalcium;manganese(2+);vanadium;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mn+2].[V]
InChIInChI=1S/Ca.Mn.3H3O4P.V/c;;3*1-5(2,3)4;/h;;3*(H3,1,2,3,4);/q2*+2;;;;/p-9
InChIKeyKWLLKNMFAGGZRE-UHFFFAOYSA-E
MW430.87 g/mol
LogP-8.86
Rot. Bonds

About calcium;manganese(2+);vanadium;triphosphate

calcium;manganese(2+);vanadium;triphosphate (PubChem CID 174881340) has the molecular formula CaMnO12P3V-5 and a molecular weight of 430.87 g/mol. Its IUPAC name is calcium;manganese(2+);vanadium;triphosphate.

Molecular Properties

Compound Namecalcium;manganese(2+);vanadium;triphosphate
PubChem CID174881340
Molecular FormulaCaMnO12P3V-5
Molecular Weight430.87 g/mol
Exact Mass430.71
IUPAC Namecalcium;manganese(2+);vanadium;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mn+2].[V]
InChIInChI=1S/Ca.Mn.3H3O4P.V/c;;3*1-5(2,3)4;/h;;3*(H3,1,2,3,4);/q2*+2;;;;/p-9
InChIKeyKWLLKNMFAGGZRE-UHFFFAOYSA-E
XLogP-8.86
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 5-8.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

molybdenum;tris(vanadium);undecaphosphate
CID 18374020
molybdenum diphosphate
CID 22395595
bis(manganese(2+)) diphosphate
CID 21124543
pentacalcium;phosphate
CID 23104844
calcium;iron(2+);manganese(2+);diphosphate;hydrate
CID 173186000
calcium;sodium;iron(2+);manganese(2+);phosphate
CID 22287648
tricalcium;fluoride;phosphate
CID 157125921
nonacalcium;trisodium;heptaphosphate
CID 173013514
iron(2+);vanadium;phosphate
CID 161404420
octacalcium;phosphate;pentahydrate
CID 22051766
tricalcium;silver;phosphate
CID 161015169
oxygen(2-);vanadium;phosphate
CID 10313253

Frequently Asked Questions

What is the IUPAC name of calcium;manganese(2+);vanadium;triphosphate?
The IUPAC name of calcium;manganese(2+);vanadium;triphosphate (CID 174881340) is calcium;manganese(2+);vanadium;triphosphate.
What is the SMILES notation for calcium;manganese(2+);vanadium;triphosphate?
The canonical SMILES for calcium;manganese(2+);vanadium;triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Mn+2].[V].
What is the InChIKey of calcium;manganese(2+);vanadium;triphosphate?
The InChIKey is KWLLKNMFAGGZRE-UHFFFAOYSA-E. The full InChI is InChI=1S/Ca.Mn.3H3O4P.V/c;;3*1-5(2,3)4;/h;;3*(H3,1,2,3,4);/q2*+2;;;;/p-9.
What are the key properties of calcium;manganese(2+);vanadium;triphosphate?
calcium;manganese(2+);vanadium;triphosphate has a molecular weight of 430.87 g/mol, XLogP of -8.86, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;manganese(2+);vanadium;triphosphate is sourced from PubChem (CID 174881340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).