hydron;2-hydroxyethyl sulfate

C2H6O5S — CID 173263896

About hydron;2-hydroxyethyl sulfate

hydron;2-hydroxyethyl sulfate (PubChem CID 173263896) has the molecular formula C2H6O5S and a molecular weight of 142.13 g/mol. Its IUPAC name is hydron;2-hydroxyethyl sulfate.

Molecular Properties

• Compound Name: hydron;2-hydroxyethyl sulfate
• PubChem CID: 173263896
• Molecular Formula: C2H6O5S
• Molecular Weight: 142.13 g/mol
• Exact Mass: 141.99
• IUPAC Name: hydron;2-hydroxyethyl sulfate
• SMILES: O=S(=O)([O-])OCCO.[H+]
• InChI: InChI=1S/C2H6O5S/c3-1-2-7-8(4,5)6/h3H,1-2H2,(H,4,5,6)
• InChIKey: GAPYETXMWCTXDQ-UHFFFAOYSA-N
• XLogP: -1.43
• TPSA: 86.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	142.13
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxyethyl sulfate?

The IUPAC name of hydron;2-hydroxyethyl sulfate (CID 173263896) is hydron;2-hydroxyethyl sulfate.

What is the SMILES notation for hydron;2-hydroxyethyl sulfate?

The canonical SMILES for hydron;2-hydroxyethyl sulfate is O=S(=O)([O-])OCCO.[H+].

What is the InChIKey of hydron;2-hydroxyethyl sulfate?

The InChIKey is GAPYETXMWCTXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5S/c3-1-2-7-8(4,5)6/h3H,1-2H2,(H,4,5,6).

What are the key properties of hydron;2-hydroxyethyl sulfate?

hydron;2-hydroxyethyl sulfate has a molecular weight of 142.13 g/mol, XLogP of -1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for hydron;2-hydroxyethyl sulfate is sourced from PubChem (CID 173263896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).