trilithium;1,3-dioxolan-2-one;phosphate

C3H4Li3O7P — CID 174955096

IUPACtrilithium;1,3-dioxolan-2-one;phosphate
SMILESO=C1OCCO1.O=P([O-])([O-])[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C3H4O3.3Li.H3O4P/c4-3-5-1-2-6-3;;;;1-5(2,3)4/h1-2H2;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyLQNLZABRHBWGJE-UHFFFAOYSA-K
MW203.85 g/mol
LogP-11.66
Rot. Bonds

About trilithium;1,3-dioxolan-2-one;phosphate

trilithium;1,3-dioxolan-2-one;phosphate (PubChem CID 174955096) has the molecular formula C3H4Li3O7P and a molecular weight of 203.85 g/mol. Its IUPAC name is trilithium;1,3-dioxolan-2-one;phosphate.

Molecular Properties

Compound Nametrilithium;1,3-dioxolan-2-one;phosphate
PubChem CID174955096
Molecular FormulaC3H4Li3O7P
Molecular Weight203.85 g/mol
Exact Mass204.02
IUPAC Nametrilithium;1,3-dioxolan-2-one;phosphate
SMILESO=C1OCCO1.O=P([O-])([O-])[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C3H4O3.3Li.H3O4P/c4-3-5-1-2-6-3;;;;1-5(2,3)4/h1-2H2;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyLQNLZABRHBWGJE-UHFFFAOYSA-K
XLogP-11.66
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.85
LogP ≤ 5-11.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 174896917
1,3-dioxolan-2-one
CID 7303
lithium;1,3-dioxolan-2-one;hexafluorophosphate
CID 146442279
1,3,8,10-tetraoxacyclotetradecane-2,9-dione
CID 67254769
1,3-dioxolan-2-one;heptane
CID 174901470
adamantane;1,3-dioxolan-2-one
CID 175094584
1,3-dioxolan-2-one;ethane;propane
CID 91581016
1,3-dioxolan-2-one;methoxymethane;hydrochloride
CID 173350365
1,3-dioxolane;1,3-dioxolan-2-one
CID 160802648
1,3-dioxacyclotetradecan-2-one
CID 22011560
1,3-dioxolan-2-one;pyrrolidine-2,5-dione
CID 66849817
acetonitrile;1,3-dioxolan-2-one
CID 69295192

Frequently Asked Questions

What is the IUPAC name of trilithium;1,3-dioxolan-2-one;phosphate?
The IUPAC name of trilithium;1,3-dioxolan-2-one;phosphate (CID 174955096) is trilithium;1,3-dioxolan-2-one;phosphate.
What is the SMILES notation for trilithium;1,3-dioxolan-2-one;phosphate?
The canonical SMILES for trilithium;1,3-dioxolan-2-one;phosphate is O=C1OCCO1.O=P([O-])([O-])[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;1,3-dioxolan-2-one;phosphate?
The InChIKey is LQNLZABRHBWGJE-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H4O3.3Li.H3O4P/c4-3-5-1-2-6-3;;;;1-5(2,3)4/h1-2H2;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trilithium;1,3-dioxolan-2-one;phosphate?
trilithium;1,3-dioxolan-2-one;phosphate has a molecular weight of 203.85 g/mol, XLogP of -11.66, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;1,3-dioxolan-2-one;phosphate is sourced from PubChem (CID 174955096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).