lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid

H4FeLiO11P3 — CID 174059070

IUPAClithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid
SMILESO=P(O)(O)O.O=P([O-])([O-])OP(=O)([O-])O.[Fe+2].[Li+]
InChIInChI=1S/Fe.Li.H4O7P2.H3O4P/c;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q+2;+1;;/p-3
InChIKeyQTOWDJWJBSRWDC-UHFFFAOYSA-K
MW335.73 g/mol
LogP-6.63
Rot. Bonds2

About lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid

lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid (PubChem CID 174059070) has the molecular formula H4FeLiO11P3 and a molecular weight of 335.73 g/mol. Its IUPAC name is lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid.

Molecular Properties

Compound Namelithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid
PubChem CID174059070
Molecular FormulaH4FeLiO11P3
Molecular Weight335.73 g/mol
Exact Mass335.85
IUPAC Namelithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid
SMILESO=P(O)(O)O.O=P([O-])([O-])OP(=O)([O-])O.[Fe+2].[Li+]
InChIInChI=1S/Fe.Li.H4O7P2.H3O4P/c;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q+2;+1;;/p-3
InChIKeyQTOWDJWJBSRWDC-UHFFFAOYSA-K
XLogP-6.63
TPSA210.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 5-6.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
CID 158298234
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843
disodium;iron(2+);phosphonato phosphate;phosphoric acid
CID 175805156
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate
CID 175387315
[hydroxy(oxido)phosphoryl] phosphate;1,3,5-triazine-2,4,6-triamine
CID 162367976
phosphono phosphate
CID 57345951
sodium;azane;phosphono hydrogen phosphate;tetrahydrate
CID 174651313
chloranium;antimony(3+);[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl] phosphate;phosphane
CID 172781589
lithium;chromium(3+);phosphonato phosphate
CID 160746898
trisodium;phosphoric acid;phosphate
CID 172853200
phosphonato phosphate
CID 644102

Frequently Asked Questions

What is the IUPAC name of lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid?
The IUPAC name of lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid (CID 174059070) is lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid.
What is the SMILES notation for lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid?
The canonical SMILES for lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid is O=P(O)(O)O.O=P([O-])([O-])OP(=O)([O-])O.[Fe+2].[Li+].
What is the InChIKey of lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid?
The InChIKey is QTOWDJWJBSRWDC-UHFFFAOYSA-K. The full InChI is InChI=1S/Fe.Li.H4O7P2.H3O4P/c;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q+2;+1;;/p-3.
What are the key properties of lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid?
lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid has a molecular weight of 335.73 g/mol, XLogP of -6.63, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid is sourced from PubChem (CID 174059070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).