(1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate

C2H6O11S2 — CID 118489557

IUPAC(1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate
SMILESO=S(O)OC(O)(O)C(O)(O)OS(=O)(=O)O
InChIInChI=1S/C2H6O11S2/c3-1(4,12-14(7)8)2(5,6)13-15(9,10)11/h3-6H,(H,7,8)(H,9,10,11)
InChIKeyZVZRPAQVRJYCHV-UHFFFAOYSA-N
MW270.19 g/mol
LogP-3.76
Rot. Bonds5

About (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate

(1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate (PubChem CID 118489557) has the molecular formula C2H6O11S2 and a molecular weight of 270.19 g/mol. Its IUPAC name is (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate.

Molecular Properties

Compound Name(1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate
PubChem CID118489557
Molecular FormulaC2H6O11S2
Molecular Weight270.19 g/mol
Exact Mass269.94
IUPAC Name(1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate
SMILESO=S(O)OC(O)(O)C(O)(O)OS(=O)(=O)O
InChIInChI=1S/C2H6O11S2/c3-1(4,12-14(7)8)2(5,6)13-15(9,10)11/h3-6H,(H,7,8)(H,9,10,11)
InChIKeyZVZRPAQVRJYCHV-UHFFFAOYSA-N
XLogP-3.76
TPSA191.05 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.19
LogP ≤ 5-3.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen 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

(1,1,2,2-tetrahydroxy-2-sulfooxyethyl) hydrogen sulfate
CID 75593299
[(E)-2,5-dimethyl-5-sulfinooxyhex-3-en-2-yl] hydrogen sulfate
CID 118684567
1,1,2,2,2-pentasulfooxyethyl hydrogen sulfate
CID 118489560
2-hydroxypropan-2-yl hydrogen sulfate
CID 57168677
(2-hydroxy-1-sulfooxypropan-2-yl) hydrogen sulfate
CID 18459347
sulfuric acid;sulfurous acid
CID 172712432
2-fluoropropan-2-yl hydrogen sulfite
CID 87625431
CID 174779824
CID 174779824
CID 150945455
CID 150945455
sodium;azane;tert-butyl hydrogen sulfate;hydride
CID 173398324
2-hydroxybutan-2-yl hydrogen sulfate;methanamine
CID 174633946
sulfooxysulfinyl hydrogen sulfate;dihydrochloride
CID 173404451

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate?
The IUPAC name of (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate (CID 118489557) is (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate.
What is the SMILES notation for (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate?
The canonical SMILES for (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate is O=S(O)OC(O)(O)C(O)(O)OS(=O)(=O)O.
What is the InChIKey of (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate?
The InChIKey is ZVZRPAQVRJYCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O11S2/c3-1(4,12-14(7)8)2(5,6)13-15(9,10)11/h3-6H,(H,7,8)(H,9,10,11).
What are the key properties of (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate?
(1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate has a molecular weight of 270.19 g/mol, XLogP of -3.76, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2-tetrahydroxy-2-sulfinooxyethyl) hydrogen sulfate is sourced from PubChem (CID 118489557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).