ethyl 2-diethoxyphosphoryloxyethanesulfonate

C8H19O7PS — CID 151734268

IUPACethyl 2-diethoxyphosphoryloxyethanesulfonate
SMILESCCOP(=O)(OCC)OCCS(=O)(=O)OCC
InChIInChI=1S/C8H19O7PS/c1-4-12-16(9,13-5-2)14-7-8-17(10,11)15-6-3/h4-8H2,1-3H3
InChIKeyRLEYQAGVDYMZCT-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.55
Rot. Bonds10

About ethyl 2-diethoxyphosphoryloxyethanesulfonate

ethyl 2-diethoxyphosphoryloxyethanesulfonate (PubChem CID 151734268) has the molecular formula C8H19O7PS and a molecular weight of 290.27 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryloxyethanesulfonate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryloxyethanesulfonate
PubChem CID151734268
Molecular FormulaC8H19O7PS
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Nameethyl 2-diethoxyphosphoryloxyethanesulfonate
SMILESCCOP(=O)(OCC)OCCS(=O)(=O)OCC
InChIInChI=1S/C8H19O7PS/c1-4-12-16(9,13-5-2)14-7-8-17(10,11)15-6-3/h4-8H2,1-3H3
InChIKeyRLEYQAGVDYMZCT-UHFFFAOYSA-N
XLogP1.55
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-ynyl 2-diethoxyphosphoryloxyethanesulfonate
CID 89235767
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
diethyl 2-methoxyethyl phosphate
CID 547489
2-ethoxyethyl diethyl phosphate
CID 3052884
lithium 2-ethoxysulfonylethanesulfonate
CID 87764163
prop-2-ynyl 2-dimethoxyphosphoryloxyethanesulfonate
CID 89235407
1-O-(4-diethoxyphosphoryloxy-2,2-dimethylbutyl) 3-O-(methylamino) propane-1,3-disulfonate
CID 123349356
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
CID 175973653
CID 175973653
CID 177007311
CID 177007311

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryloxyethanesulfonate?
The IUPAC name of ethyl 2-diethoxyphosphoryloxyethanesulfonate (CID 151734268) is ethyl 2-diethoxyphosphoryloxyethanesulfonate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryloxyethanesulfonate?
The canonical SMILES for ethyl 2-diethoxyphosphoryloxyethanesulfonate is CCOP(=O)(OCC)OCCS(=O)(=O)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryloxyethanesulfonate?
The InChIKey is RLEYQAGVDYMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O7PS/c1-4-12-16(9,13-5-2)14-7-8-17(10,11)15-6-3/h4-8H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphoryloxyethanesulfonate?
ethyl 2-diethoxyphosphoryloxyethanesulfonate has a molecular weight of 290.27 g/mol, XLogP of 1.55, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryloxyethanesulfonate is sourced from PubChem (CID 151734268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).