cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate

H2CoFeMnO9P2 — CID 175542462

IUPACcobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Fe+2].[Mn+2]
InChIInChI=1S/Co.Fe.Mn.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6
InChIKeyMPFLVXHMTSUWQT-UHFFFAOYSA-H
MW377.67 g/mol
LogP-6.48
Rot. Bonds

About cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate

cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate (PubChem CID 175542462) has the molecular formula H2CoFeMnO9P2 and a molecular weight of 377.67 g/mol. Its IUPAC name is cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate.

Molecular Properties

Compound Namecobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate
PubChem CID175542462
Molecular FormulaH2CoFeMnO9P2
Molecular Weight377.67 g/mol
Exact Mass377.72
IUPAC Namecobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Fe+2].[Mn+2]
InChIInChI=1S/Co.Fe.Mn.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6
InChIKeyMPFLVXHMTSUWQT-UHFFFAOYSA-H
XLogP-6.48
TPSA204.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 5-6.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
tris(iron(2+));diphosphate;dihydrate
CID 162235567
lithium;cobalt(2+);iron(2+);manganese(2+);nickel(2+);triphosphate
CID 161020848
azane;iron(2+);manganese(2+);phosphate
CID 172802270
bis(manganese(2+)) diphosphate
CID 21124543
phosphate octahydrate
CID 22485829
calcium;sodium;iron(2+);manganese(2+);phosphate
CID 22287648
iron(2+);vanadium;phosphate
CID 161404420
aluminum;iron(2+);phosphate
CID 18314842
tris(cobalt(2+));tris(nickel(2+));tetraphosphate
CID 19845457
trisodium;phosphate;dodecahydrate
CID 516998
octacalcium;phosphate;pentahydrate
CID 22051766

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate?
The IUPAC name of cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate (CID 175542462) is cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate.
What is the SMILES notation for cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate?
The canonical SMILES for cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate is O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Co+2].[Fe+2].[Mn+2].
What is the InChIKey of cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate?
The InChIKey is MPFLVXHMTSUWQT-UHFFFAOYSA-H. The full InChI is InChI=1S/Co.Fe.Mn.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6.
What are the key properties of cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate?
cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate has a molecular weight of 377.67 g/mol, XLogP of -6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate is sourced from PubChem (CID 175542462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).