lithium;dihydrogen phosphate;dihydrate

H6LiO6P — CID 162740177

IUPAClithium;dihydrogen phosphate;dihydrate
SMILESO.O.O=P([O-])(O)O.[Li+]
InChIInChI=1S/Li.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1
InChIKeyHBGSPTGAAMUOSF-UHFFFAOYSA-M
MW139.96 g/mol
LogP-6.21
Rot. Bonds

About lithium;dihydrogen phosphate;dihydrate

lithium;dihydrogen phosphate;dihydrate (PubChem CID 162740177) has the molecular formula H6LiO6P and a molecular weight of 139.96 g/mol. Its IUPAC name is lithium;dihydrogen phosphate;dihydrate.

Molecular Properties

Compound Namelithium;dihydrogen phosphate;dihydrate
PubChem CID162740177
Molecular FormulaH6LiO6P
Molecular Weight139.96 g/mol
Exact Mass140.01
IUPAC Namelithium;dihydrogen phosphate;dihydrate
SMILESO.O.O=P([O-])(O)O.[Li+]
InChIInChI=1S/Li.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1
InChIKeyHBGSPTGAAMUOSF-UHFFFAOYSA-M
XLogP-6.21
TPSA143.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.96
LogP ≤ 5-6.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;dihydrogen phosphate;hydrate
CID 162740181
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
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
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;dihydrate?
The IUPAC name of lithium;dihydrogen phosphate;dihydrate (CID 162740177) is lithium;dihydrogen phosphate;dihydrate.
What is the SMILES notation for lithium;dihydrogen phosphate;dihydrate?
The canonical SMILES for lithium;dihydrogen phosphate;dihydrate is O.O.O=P([O-])(O)O.[Li+].
What is the InChIKey of lithium;dihydrogen phosphate;dihydrate?
The InChIKey is HBGSPTGAAMUOSF-UHFFFAOYSA-M. The full InChI is InChI=1S/Li.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1.
What are the key properties of lithium;dihydrogen phosphate;dihydrate?
lithium;dihydrogen phosphate;dihydrate has a molecular weight of 139.96 g/mol, XLogP of -6.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dihydrogen phosphate;dihydrate is sourced from PubChem (CID 162740177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).