lithium;dihydrogen phosphate;hydrate

H4LiO5P — CID 162740181

IUPAClithium;dihydrogen phosphate;hydrate
SMILESO.O=P([O-])(O)O.[Li+]
InChIInChI=1S/Li.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1
InChIKeyPRDNPBZHTNWUGR-UHFFFAOYSA-M
MW121.94 g/mol
LogP-5.38
Rot. Bonds

About lithium;dihydrogen phosphate;hydrate

lithium;dihydrogen phosphate;hydrate (PubChem CID 162740181) has the molecular formula H4LiO5P and a molecular weight of 121.94 g/mol. Its IUPAC name is lithium;dihydrogen phosphate;hydrate.

Molecular Properties

Compound Namelithium;dihydrogen phosphate;hydrate
PubChem CID162740181
Molecular FormulaH4LiO5P
Molecular Weight121.94 g/mol
Exact Mass122.00
IUPAC Namelithium;dihydrogen phosphate;hydrate
SMILESO.O=P([O-])(O)O.[Li+]
InChIInChI=1S/Li.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1
InChIKeyPRDNPBZHTNWUGR-UHFFFAOYSA-M
XLogP-5.38
TPSA112.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.94
LogP ≤ 5-5.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;dihydrogen phosphate;hydrate 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

lithium;dihydrogen phosphate;dihydrate
CID 162740177
magnesium;dihydrogen phosphate;tetrahydrate
CID 23118847
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
dihydrogen phosphate;molybdenum(4+);trihydroxide;hydrate
CID 170999822
sodium dihydroxy(32P)phosphinate
CID 23694678
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
zinc bis(dihydrogen phosphate)
CID 11253952
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
trilithium;phosphoric acid;phosphate
CID 158468021

Frequently Asked Questions

What is the IUPAC name of lithium;dihydrogen phosphate;hydrate?
The IUPAC name of lithium;dihydrogen phosphate;hydrate (CID 162740181) is lithium;dihydrogen phosphate;hydrate.
What is the SMILES notation for lithium;dihydrogen phosphate;hydrate?
The canonical SMILES for lithium;dihydrogen phosphate;hydrate is O.O=P([O-])(O)O.[Li+].
What is the InChIKey of lithium;dihydrogen phosphate;hydrate?
The InChIKey is PRDNPBZHTNWUGR-UHFFFAOYSA-M. The full InChI is InChI=1S/Li.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1.
What are the key properties of lithium;dihydrogen phosphate;hydrate?
lithium;dihydrogen phosphate;hydrate has a molecular weight of 121.94 g/mol, XLogP of -5.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dihydrogen phosphate;hydrate is sourced from PubChem (CID 162740181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).