2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate

C2H8O8S2 — CID 22962258

IUPAC2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCOS(O)(O)O
InChIInChI=1S/C2H8O8S2/c3-11(4,5)9-1-2-10-12(6,7)8/h3-5H,1-2H2,(H,6,7,8)
InChIKeyIDYJKPJVWOUZLD-UHFFFAOYSA-N
MW224.21 g/mol
LogP-0.04
Rot. Bonds5

About 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate

2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate (PubChem CID 22962258) has the molecular formula C2H8O8S2 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate.

Molecular Properties

Compound Name2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate
PubChem CID22962258
Molecular FormulaC2H8O8S2
Molecular Weight224.21 g/mol
Exact Mass223.97
IUPAC Name2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate
SMILESO=S(=O)(O)OCCOS(O)(O)O
InChIInChI=1S/C2H8O8S2/c3-11(4,5)9-1-2-10-12(6,7)8/h3-5H,1-2H2,(H,6,7,8)
InChIKeyIDYJKPJVWOUZLD-UHFFFAOYSA-N
XLogP-0.04
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate?
The IUPAC name of 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate (CID 22962258) is 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate.
What is the SMILES notation for 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate?
The canonical SMILES for 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate is O=S(=O)(O)OCCOS(O)(O)O.
What is the InChIKey of 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate?
The InChIKey is IDYJKPJVWOUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O8S2/c3-11(4,5)9-1-2-10-12(6,7)8/h3-5H,1-2H2,(H,6,7,8).
What are the key properties of 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate?
2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate has a molecular weight of 224.21 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trihydroxy-λ4-sulfanyl)oxyethyl hydrogen sulfate is sourced from PubChem (CID 22962258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).