calcium;sodium;iron(2+);manganese(2+);phosphate

CaFeMnNaO4P+4 — CID 22287648

IUPACcalcium;sodium;iron(2+);manganese(2+);phosphate
SMILESO=P([O-])([O-])[O-].[Ca+2].[Fe+2].[Mn+2].[Na+]
InChIInChI=1S/Ca.Fe.Mn.Na.H3O4P/c;;;;1-5(2,3)4/h;;;;(H3,1,2,3,4)/q3*+2;+1;/p-3
InChIKeyRVYFQTQDHPBNSU-UHFFFAOYSA-K
MW268.82 g/mol
LogP-6.21
Rot. Bonds

About calcium;sodium;iron(2+);manganese(2+);phosphate

calcium;sodium;iron(2+);manganese(2+);phosphate (PubChem CID 22287648) has the molecular formula CaFeMnNaO4P+4 and a molecular weight of 268.82 g/mol. Its IUPAC name is calcium;sodium;iron(2+);manganese(2+);phosphate.

Molecular Properties

Compound Namecalcium;sodium;iron(2+);manganese(2+);phosphate
PubChem CID22287648
Molecular FormulaCaFeMnNaO4P+4
Molecular Weight268.82 g/mol
Exact Mass268.78
IUPAC Namecalcium;sodium;iron(2+);manganese(2+);phosphate
SMILESO=P([O-])([O-])[O-].[Ca+2].[Fe+2].[Mn+2].[Na+]
InChIInChI=1S/Ca.Fe.Mn.Na.H3O4P/c;;;;1-5(2,3)4/h;;;;(H3,1,2,3,4)/q3*+2;+1;/p-3
InChIKeyRVYFQTQDHPBNSU-UHFFFAOYSA-K
XLogP-6.21
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.82
LogP ≤ 5-6.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium;iron(2+);manganese(2+);diphosphate;hydrate
CID 173186000
nonacalcium;trisodium;heptaphosphate
CID 173013514
calcium;manganese(2+);vanadium;triphosphate
CID 174881340
azane;iron(2+);manganese(2+);phosphate
CID 172802270
pentacalcium;phosphate
CID 23104844
molybdenum diphosphate
CID 22395595
bis(manganese(2+)) diphosphate
CID 21124543
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate
CID 175542462
tetrapotassium;sodium;phosphate
CID 172696103
tricalcium;zirconium(4+);phosphate
CID 172787637

Frequently Asked Questions

What is the IUPAC name of calcium;sodium;iron(2+);manganese(2+);phosphate?
The IUPAC name of calcium;sodium;iron(2+);manganese(2+);phosphate (CID 22287648) is calcium;sodium;iron(2+);manganese(2+);phosphate.
What is the SMILES notation for calcium;sodium;iron(2+);manganese(2+);phosphate?
The canonical SMILES for calcium;sodium;iron(2+);manganese(2+);phosphate is O=P([O-])([O-])[O-].[Ca+2].[Fe+2].[Mn+2].[Na+].
What is the InChIKey of calcium;sodium;iron(2+);manganese(2+);phosphate?
The InChIKey is RVYFQTQDHPBNSU-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.Fe.Mn.Na.H3O4P/c;;;;1-5(2,3)4/h;;;;(H3,1,2,3,4)/q3*+2;+1;/p-3.
What are the key properties of calcium;sodium;iron(2+);manganese(2+);phosphate?
calcium;sodium;iron(2+);manganese(2+);phosphate has a molecular weight of 268.82 g/mol, XLogP of -6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;iron(2+);manganese(2+);phosphate is sourced from PubChem (CID 22287648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).