dilithium;1,3-dioxolan-2-one;hydrogen phosphate

C3H5Li2O7P — CID 174896917

IUPACdilithium;1,3-dioxolan-2-one;hydrogen phosphate
SMILESO=C1OCCO1.O=P([O-])([O-])O.[Li+].[Li+]
InChIInChI=1S/C3H4O3.2Li.H3O4P/c4-3-5-1-2-6-3;;;1-5(2,3)4/h1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZPAWBCOYIAFURV-UHFFFAOYSA-L
MW197.92 g/mol
LogP-8.03
Rot. Bonds

About dilithium;1,3-dioxolan-2-one;hydrogen phosphate

dilithium;1,3-dioxolan-2-one;hydrogen phosphate (PubChem CID 174896917) has the molecular formula C3H5Li2O7P and a molecular weight of 197.92 g/mol. Its IUPAC name is dilithium;1,3-dioxolan-2-one;hydrogen phosphate.

Molecular Properties

Compound Namedilithium;1,3-dioxolan-2-one;hydrogen phosphate
PubChem CID174896917
Molecular FormulaC3H5Li2O7P
Molecular Weight197.92 g/mol
Exact Mass198.01
IUPAC Namedilithium;1,3-dioxolan-2-one;hydrogen phosphate
SMILESO=C1OCCO1.O=P([O-])([O-])O.[Li+].[Li+]
InChIInChI=1S/C3H4O3.2Li.H3O4P/c4-3-5-1-2-6-3;;;1-5(2,3)4/h1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZPAWBCOYIAFURV-UHFFFAOYSA-L
XLogP-8.03
TPSA118.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.92
LogP ≤ 5-8.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trilithium;1,3-dioxolan-2-one;phosphate
CID 174955096
1,3-dioxolan-2-one
CID 7303
lithium;1,3-dioxolan-2-one;hexafluorophosphate
CID 146442279
disodium;dioxetane;hydrogen phosphate
CID 162093678
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
lithium;1,3-dioxolan-2-one;2-methylprop-2-enoic acid;perchlorate
CID 159164939
azane;hydrogen phosphate;iron;hydrofluoride
CID 170853456
N,N-dimethylacetamide;1,3-dioxolan-2-one
CID 158215912
1,3-dioxacyclotetradecan-2-one
CID 22011560

Frequently Asked Questions

What is the IUPAC name of dilithium;1,3-dioxolan-2-one;hydrogen phosphate?
The IUPAC name of dilithium;1,3-dioxolan-2-one;hydrogen phosphate (CID 174896917) is dilithium;1,3-dioxolan-2-one;hydrogen phosphate.
What is the SMILES notation for dilithium;1,3-dioxolan-2-one;hydrogen phosphate?
The canonical SMILES for dilithium;1,3-dioxolan-2-one;hydrogen phosphate is O=C1OCCO1.O=P([O-])([O-])O.[Li+].[Li+].
What is the InChIKey of dilithium;1,3-dioxolan-2-one;hydrogen phosphate?
The InChIKey is ZPAWBCOYIAFURV-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O3.2Li.H3O4P/c4-3-5-1-2-6-3;;;1-5(2,3)4/h1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dilithium;1,3-dioxolan-2-one;hydrogen phosphate?
dilithium;1,3-dioxolan-2-one;hydrogen phosphate has a molecular weight of 197.92 g/mol, XLogP of -8.03, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1,3-dioxolan-2-one;hydrogen phosphate is sourced from PubChem (CID 174896917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).