lithium diethoxyphosphorylmethanesulfonate

C5H12LiO6PS — CID 23683927

IUPAClithium diethoxyphosphorylmethanesulfonate
SMILESCCOP(=O)(CS(=O)(=O)[O-])OCC.[Li+]
InChIInChI=1S/C5H13O6PS.Li/c1-3-10-12(6,11-4-2)5-13(7,8)9;/h3-5H2,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyDBILWGPKMAXWML-UHFFFAOYSA-M
MW238.13 g/mol
LogP-2.24
Rot. Bonds6

About lithium diethoxyphosphorylmethanesulfonate

lithium diethoxyphosphorylmethanesulfonate (PubChem CID 23683927) has the molecular formula C5H12LiO6PS and a molecular weight of 238.13 g/mol. Its IUPAC name is lithium diethoxyphosphorylmethanesulfonate.

Molecular Properties

Compound Namelithium diethoxyphosphorylmethanesulfonate
PubChem CID23683927
Molecular FormulaC5H12LiO6PS
Molecular Weight238.13 g/mol
Exact Mass238.03
IUPAC Namelithium diethoxyphosphorylmethanesulfonate
SMILESCCOP(=O)(CS(=O)(=O)[O-])OCC.[Li+]
InChIInChI=1S/C5H13O6PS.Li/c1-3-10-12(6,11-4-2)5-13(7,8)9;/h3-5H2,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyDBILWGPKMAXWML-UHFFFAOYSA-M
XLogP-2.24
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(methylsulfonylmethyl)phosphoryl]oxyethane
CID 118667786
1-(diethoxyphosphorylmethylsulfonyl)pyrrolidine
CID 19977992
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
lithium 2-ethoxysulfonylethanesulfonate
CID 87764163
2-diethoxyphosphoryl-1-methylsulfanylethanamine
CID 175798762
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
1-diethoxyphosphorylpent-2-yne
CID 140969435
sodium diethoxyphosphorylmethanol
CID 22274944
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607301

Frequently Asked Questions

What is the IUPAC name of lithium diethoxyphosphorylmethanesulfonate?
The IUPAC name of lithium diethoxyphosphorylmethanesulfonate (CID 23683927) is lithium diethoxyphosphorylmethanesulfonate.
What is the SMILES notation for lithium diethoxyphosphorylmethanesulfonate?
The canonical SMILES for lithium diethoxyphosphorylmethanesulfonate is CCOP(=O)(CS(=O)(=O)[O-])OCC.[Li+].
What is the InChIKey of lithium diethoxyphosphorylmethanesulfonate?
The InChIKey is DBILWGPKMAXWML-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13O6PS.Li/c1-3-10-12(6,11-4-2)5-13(7,8)9;/h3-5H2,1-2H3,(H,7,8,9);/q;+1/p-1.
What are the key properties of lithium diethoxyphosphorylmethanesulfonate?
lithium diethoxyphosphorylmethanesulfonate has a molecular weight of 238.13 g/mol, XLogP of -2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium diethoxyphosphorylmethanesulfonate is sourced from PubChem (CID 23683927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).