ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate

C7H15O9PS — CID 156690326

IUPACethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
SMILESCCOC(=O)P(=O)(OCC)OCCOS(=O)(=O)O
InChIInChI=1S/C7H15O9PS/c1-3-13-7(8)17(9,14-4-2)15-5-6-16-18(10,11)12/h3-6H2,1-2H3,(H,10,11,12)
InChIKeyHLTCQQYXIJFSBJ-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.21
Rot. Bonds9

About ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate

ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate (PubChem CID 156690326) has the molecular formula C7H15O9PS and a molecular weight of 306.23 g/mol. Its IUPAC name is ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate.

Molecular Properties

Compound Nameethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
PubChem CID156690326
Molecular FormulaC7H15O9PS
Molecular Weight306.23 g/mol
Exact Mass306.02
IUPAC Nameethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
SMILESCCOC(=O)P(=O)(OCC)OCCOS(=O)(=O)O
InChIInChI=1S/C7H15O9PS/c1-3-13-7(8)17(9,14-4-2)15-5-6-16-18(10,11)12/h3-6H2,1-2H3,(H,10,11,12)
InChIKeyHLTCQQYXIJFSBJ-UHFFFAOYSA-N
XLogP1.21
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
CID 156690331
lithium 2-[ethoxy(methoxycarbonyl)phosphoryl]oxyethyl sulfate
CID 156690335
butyl [butoxy(ethoxy)phosphoryl]formate
CID 91568211
2-dimethylphosphoryloxyethyl hydrogen sulfate
CID 23594631
ethyl bis(methylperoxy)phosphorylformate
CID 54463004
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
ethyl bis(3-octadecylsulfanylpropoxy)phosphorylformate
CID 166909333
azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
CID 173456268
[(E)-but-2-enyl] diethoxyphosphorylformate
CID 122649345
methanamine;propyl hydrogen sulfate
CID 174898654

Frequently Asked Questions

What is the IUPAC name of ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate?
The IUPAC name of ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate (CID 156690326) is ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate.
What is the SMILES notation for ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate?
The canonical SMILES for ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate is CCOC(=O)P(=O)(OCC)OCCOS(=O)(=O)O.
What is the InChIKey of ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate?
The InChIKey is HLTCQQYXIJFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O9PS/c1-3-13-7(8)17(9,14-4-2)15-5-6-16-18(10,11)12/h3-6H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate?
ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate has a molecular weight of 306.23 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate is sourced from PubChem (CID 156690326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).