magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate

H5FeMgNaO15P4 — CID 175387315

IUPACmagnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P([O-])([O-])OP(=O)(O)O.O=P([O-])([O-])[O-].[Fe+2].[Mg+2].[Na+]
InChIInChI=1S/Fe.Mg.Na.H4O7P2.2H3O4P/c;;;1-8(2,3)7-9(4,5)6;2*1-5(2,3)4/h;;;(H2,1,2,3)(H2,4,5,6);2*(H3,1,2,3,4)/q2*+2;+1;;;/p-5
InChIKeyWDCMRXGDMNQXQW-UHFFFAOYSA-I
MW472.06 g/mol
LogP-9.21
Rot. Bonds2

About magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate

magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate (PubChem CID 175387315) has the molecular formula H5FeMgNaO15P4 and a molecular weight of 472.06 g/mol. Its IUPAC name is magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate.

Molecular Properties

Compound Namemagnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate
PubChem CID175387315
Molecular FormulaH5FeMgNaO15P4
Molecular Weight472.06 g/mol
Exact Mass471.77
IUPAC Namemagnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P([O-])([O-])OP(=O)(O)O.O=P([O-])([O-])[O-].[Fe+2].[Mg+2].[Na+]
InChIInChI=1S/Fe.Mg.Na.H4O7P2.2H3O4P/c;;;1-8(2,3)7-9(4,5)6;2*1-5(2,3)4/h;;;(H2,1,2,3)(H2,4,5,6);2*(H3,1,2,3,4)/q2*+2;+1;;;/p-5
InChIKeyWDCMRXGDMNQXQW-UHFFFAOYSA-I
XLogP-9.21
TPSA293.96 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.06
LogP ≤ 5-9.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

phosphono phosphate
CID 57345951
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CID 138395841
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CID 173430814
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CID 19985246
disodium;iron(2+);phosphonato phosphate;phosphoric acid
CID 175805156
copper;phosphono phosphate;sulfuric acid
CID 175344520
trisodium;phosphoric acid;phosphate
CID 172853200
lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid
CID 174059070
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
CID 173388644
CID 173388644
calcium;sodium;phosphoric acid;phosphate
CID 173179477
lithium;magnesium;phosphoric acid;phosphate
CID 172683948

Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate?
The IUPAC name of magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate (CID 175387315) is magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate.
What is the SMILES notation for magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate?
The canonical SMILES for magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate is O=P(O)(O)O.O=P([O-])([O-])OP(=O)(O)O.O=P([O-])([O-])[O-].[Fe+2].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate?
The InChIKey is WDCMRXGDMNQXQW-UHFFFAOYSA-I. The full InChI is InChI=1S/Fe.Mg.Na.H4O7P2.2H3O4P/c;;;1-8(2,3)7-9(4,5)6;2*1-5(2,3)4/h;;;(H2,1,2,3)(H2,4,5,6);2*(H3,1,2,3,4)/q2*+2;+1;;;/p-5.
What are the key properties of magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate?
magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate has a molecular weight of 472.06 g/mol, XLogP of -9.21, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate is sourced from PubChem (CID 175387315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).