2-diethoxyphosphorylethanesulfonic acid

C6H15O6PS — CID 14904485

IUPAC2-diethoxyphosphorylethanesulfonic acid
SMILESCCOP(=O)(CCS(=O)(=O)O)OCC
InChIInChI=1S/C6H15O6PS/c1-3-11-13(7,12-4-2)5-6-14(8,9)10/h3-6H2,1-2H3,(H,8,9,10)
InChIKeyQGPOSKAQOBALOM-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.14
Rot. Bonds7

About 2-diethoxyphosphorylethanesulfonic acid

2-diethoxyphosphorylethanesulfonic acid (PubChem CID 14904485) has the molecular formula C6H15O6PS and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-diethoxyphosphorylethanesulfonic acid.

Molecular Properties

Compound Name2-diethoxyphosphorylethanesulfonic acid
PubChem CID14904485
Molecular FormulaC6H15O6PS
Molecular Weight246.22 g/mol
Exact Mass246.03
IUPAC Name2-diethoxyphosphorylethanesulfonic acid
SMILESCCOP(=O)(CCS(=O)(=O)O)OCC
InChIInChI=1S/C6H15O6PS/c1-3-11-13(7,12-4-2)5-6-14(8,9)10/h3-6H2,1-2H3,(H,8,9,10)
InChIKeyQGPOSKAQOBALOM-UHFFFAOYSA-N
XLogP1.14
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
6-(2-diethoxyphosphorylethylamino)hexan-1-ol
CID 175947298
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
8-diethoxyphosphoryloctan-1-ol
CID 10515886
4-(2-diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
sodium diethoxyphosphorylmethanol
CID 22274944
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
4-diethoxyphosphoryl-1-hydroxybutan-2-one
CID 11009594
lithium diethoxyphosphorylmethanesulfonate
CID 23683927
1-diethoxyphosphoryldecane
CID 2773697

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylethanesulfonic acid?
The IUPAC name of 2-diethoxyphosphorylethanesulfonic acid (CID 14904485) is 2-diethoxyphosphorylethanesulfonic acid.
What is the SMILES notation for 2-diethoxyphosphorylethanesulfonic acid?
The canonical SMILES for 2-diethoxyphosphorylethanesulfonic acid is CCOP(=O)(CCS(=O)(=O)O)OCC.
What is the InChIKey of 2-diethoxyphosphorylethanesulfonic acid?
The InChIKey is QGPOSKAQOBALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O6PS/c1-3-11-13(7,12-4-2)5-6-14(8,9)10/h3-6H2,1-2H3,(H,8,9,10).
What are the key properties of 2-diethoxyphosphorylethanesulfonic acid?
2-diethoxyphosphorylethanesulfonic acid has a molecular weight of 246.22 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylethanesulfonic acid is sourced from PubChem (CID 14904485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).