lithium;iron(3+);methyl phosphate

C2H6FeLiO8P2 — CID 173011115

IUPAClithium;iron(3+);methyl phosphate
SMILESCOP(=O)([O-])[O-].COP(=O)([O-])[O-].[Fe+3].[Li+]
InChIInChI=1S/2CH5O4P.Fe.Li/c2*1-5-6(2,3)4;;/h2*1H3,(H2,2,3,4);;/q;;+3;+1/p-4
InChIKeyLCTOVGUYMBDUDT-UHFFFAOYSA-J
MW282.80 g/mol
LogP-6.08
Rot. Bonds2

About lithium;iron(3+);methyl phosphate

lithium;iron(3+);methyl phosphate (PubChem CID 173011115) has the molecular formula C2H6FeLiO8P2 and a molecular weight of 282.80 g/mol. Its IUPAC name is lithium;iron(3+);methyl phosphate.

Molecular Properties

Compound Namelithium;iron(3+);methyl phosphate
PubChem CID173011115
Molecular FormulaC2H6FeLiO8P2
Molecular Weight282.80 g/mol
Exact Mass282.90
IUPAC Namelithium;iron(3+);methyl phosphate
SMILESCOP(=O)([O-])[O-].COP(=O)([O-])[O-].[Fe+3].[Li+]
InChIInChI=1S/2CH5O4P.Fe.Li/c2*1-5-6(2,3)4;;/h2*1H3,(H2,2,3,4);;/q;;+3;+1/p-4
InChIKeyLCTOVGUYMBDUDT-UHFFFAOYSA-J
XLogP-6.08
TPSA144.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 5-6.08
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'}

Analyze lithium;iron(3+);methyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methylazanium;methyl phosphate
CID 141397686
phosphanium dimethyl phosphate
CID 118555188
barium(2+);bis(dimethyl phosphate)
CID 3835926
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
trilithium;iron(3+);diphosphate
CID 102600810
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
dilithium;prop-1-enyl phosphate
CID 177307945
CID 173065619
CID 173065619
lithium;chromium(3+);phosphonato phosphate
CID 160746898
dilithium;alumanyl phosphate
CID 175479178
sodium ethyl methyl phosphate
CID 134607083
sodium phosphate
CID 21225609

Frequently Asked Questions

What is the IUPAC name of lithium;iron(3+);methyl phosphate?
The IUPAC name of lithium;iron(3+);methyl phosphate (CID 173011115) is lithium;iron(3+);methyl phosphate.
What is the SMILES notation for lithium;iron(3+);methyl phosphate?
The canonical SMILES for lithium;iron(3+);methyl phosphate is COP(=O)([O-])[O-].COP(=O)([O-])[O-].[Fe+3].[Li+].
What is the InChIKey of lithium;iron(3+);methyl phosphate?
The InChIKey is LCTOVGUYMBDUDT-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH5O4P.Fe.Li/c2*1-5-6(2,3)4;;/h2*1H3,(H2,2,3,4);;/q;;+3;+1/p-4.
What are the key properties of lithium;iron(3+);methyl phosphate?
lithium;iron(3+);methyl phosphate has a molecular weight of 282.80 g/mol, XLogP of -6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;iron(3+);methyl phosphate is sourced from PubChem (CID 173011115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).