1-sulfonatooxyethenyl sulfate

C2H2O8S2-2 — CID 22162560

IUPAC1-sulfonatooxyethenyl sulfate
SMILESC=C(OS(=O)(=O)[O-])OS(=O)(=O)[O-]
InChIInChI=1S/C2H4O8S2/c1-2(9-11(3,4)5)10-12(6,7)8/h1H2,(H,3,4,5)(H,6,7,8)/p-2
InChIKeyOJJCDFOFIVGCQK-UHFFFAOYSA-L
MW218.16 g/mol
LogP-1.59
Rot. Bonds4

About 1-sulfonatooxyethenyl sulfate

1-sulfonatooxyethenyl sulfate (PubChem CID 22162560) has the molecular formula C2H2O8S2-2 and a molecular weight of 218.16 g/mol. Its IUPAC name is 1-sulfonatooxyethenyl sulfate.

Molecular Properties

Compound Name1-sulfonatooxyethenyl sulfate
PubChem CID22162560
Molecular FormulaC2H2O8S2-2
Molecular Weight218.16 g/mol
Exact Mass217.92
IUPAC Name1-sulfonatooxyethenyl sulfate
SMILESC=C(OS(=O)(=O)[O-])OS(=O)(=O)[O-]
InChIInChI=1S/C2H4O8S2/c1-2(9-11(3,4)5)10-12(6,7)8/h1H2,(H,3,4,5)(H,6,7,8)/p-2
InChIKeyOJJCDFOFIVGCQK-UHFFFAOYSA-L
XLogP-1.59
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze 1-sulfonatooxyethenyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium oxidooxycarbonyl sulfate
CID 87368845
potassium hydroxy sulfate
CID 23712892
cesium hydroxy sulfate
CID 161129276
hydron;2-hydroxyprop-2-enyl sulfate
CID 173263988
aluminum;lithium;hydroxy sulfate;hydrate
CID 158565872
copper;magnesium;hydroxy sulfate
CID 175067700
sodium 1-hydroxyethenesulfonate
CID 23720822
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
sodium;hydroxy sulfate;methane;dihydrate
CID 173150022
(Z)-3-chloro-2-sulfonatooxyprop-2-enoate
CID 59863753
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061

Frequently Asked Questions

What is the IUPAC name of 1-sulfonatooxyethenyl sulfate?
The IUPAC name of 1-sulfonatooxyethenyl sulfate (CID 22162560) is 1-sulfonatooxyethenyl sulfate.
What is the SMILES notation for 1-sulfonatooxyethenyl sulfate?
The canonical SMILES for 1-sulfonatooxyethenyl sulfate is C=C(OS(=O)(=O)[O-])OS(=O)(=O)[O-].
What is the InChIKey of 1-sulfonatooxyethenyl sulfate?
The InChIKey is OJJCDFOFIVGCQK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O8S2/c1-2(9-11(3,4)5)10-12(6,7)8/h1H2,(H,3,4,5)(H,6,7,8)/p-2.
What are the key properties of 1-sulfonatooxyethenyl sulfate?
1-sulfonatooxyethenyl sulfate has a molecular weight of 218.16 g/mol, XLogP of -1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfonatooxyethenyl sulfate is sourced from PubChem (CID 22162560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).