2-dimethylphosphoryloxyethyl hydrogen sulfate

C4H11O6PS — CID 23594631

IUPAC2-dimethylphosphoryloxyethyl hydrogen sulfate
SMILESCP(C)(=O)OCCOS(=O)(=O)O
InChIInChI=1S/C4H11O6PS/c1-11(2,5)9-3-4-10-12(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyOMENMFBDZUGBAJ-UHFFFAOYSA-N
MW218.17 g/mol
LogP0.36
Rot. Bonds5

About 2-dimethylphosphoryloxyethyl hydrogen sulfate

2-dimethylphosphoryloxyethyl hydrogen sulfate (PubChem CID 23594631) has the molecular formula C4H11O6PS and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-dimethylphosphoryloxyethyl hydrogen sulfate.

Molecular Properties

Compound Name2-dimethylphosphoryloxyethyl hydrogen sulfate
PubChem CID23594631
Molecular FormulaC4H11O6PS
Molecular Weight218.17 g/mol
Exact Mass218.00
IUPAC Name2-dimethylphosphoryloxyethyl hydrogen sulfate
SMILESCP(C)(=O)OCCOS(=O)(=O)O
InChIInChI=1S/C4H11O6PS/c1-11(2,5)9-3-4-10-12(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyOMENMFBDZUGBAJ-UHFFFAOYSA-N
XLogP0.36
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
CID 156690326
acetic acid;azane;iron;2-sulfooxyethyl hydrogen sulfate
CID 173464262
tert-butyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
CID 156690331
propyl hydrogen sulfate;hydrate
CID 88639002
2-(methanesulfonamido)ethyl hydrogen sulfate
CID 57291133
methanamine;propyl hydrogen sulfate
CID 174898654
CID 87705635
CID 87705635
bis(2-sulfooxyethylamino)phosphinic acid
CID 166636649
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryloxyethyl hydrogen sulfate?
The IUPAC name of 2-dimethylphosphoryloxyethyl hydrogen sulfate (CID 23594631) is 2-dimethylphosphoryloxyethyl hydrogen sulfate.
What is the SMILES notation for 2-dimethylphosphoryloxyethyl hydrogen sulfate?
The canonical SMILES for 2-dimethylphosphoryloxyethyl hydrogen sulfate is CP(C)(=O)OCCOS(=O)(=O)O.
What is the InChIKey of 2-dimethylphosphoryloxyethyl hydrogen sulfate?
The InChIKey is OMENMFBDZUGBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O6PS/c1-11(2,5)9-3-4-10-12(6,7)8/h3-4H2,1-2H3,(H,6,7,8).
What are the key properties of 2-dimethylphosphoryloxyethyl hydrogen sulfate?
2-dimethylphosphoryloxyethyl hydrogen sulfate has a molecular weight of 218.17 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryloxyethyl hydrogen sulfate is sourced from PubChem (CID 23594631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).