(1R)-1-hydroxyethanesulfonic acid

C2H6O4S — CID 76957335

IUPAC(1R)-1-hydroxyethanesulfonic acid
SMILESC[C@H](O)S(=O)(=O)O
InChIInChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1
InChIKeyWLXGQMVCYPUOLM-UWTATZPHSA-N
MW126.13 g/mol
LogP-0.79
Rot. Bonds1

About (1R)-1-hydroxyethanesulfonic acid

(1R)-1-hydroxyethanesulfonic acid (PubChem CID 76957335) has the molecular formula C2H6O4S and a molecular weight of 126.13 g/mol. Its IUPAC name is (1R)-1-hydroxyethanesulfonic acid.

Molecular Properties

Compound Name(1R)-1-hydroxyethanesulfonic acid
PubChem CID76957335
Molecular FormulaC2H6O4S
Molecular Weight126.13 g/mol
Exact Mass126.00
IUPAC Name(1R)-1-hydroxyethanesulfonic acid
SMILESC[C@H](O)S(=O)(=O)O
InChIInChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1
InChIKeyWLXGQMVCYPUOLM-UWTATZPHSA-N
XLogP-0.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxyethanesulfonic acid?
The IUPAC name of (1R)-1-hydroxyethanesulfonic acid (CID 76957335) is (1R)-1-hydroxyethanesulfonic acid.
What is the SMILES notation for (1R)-1-hydroxyethanesulfonic acid?
The canonical SMILES for (1R)-1-hydroxyethanesulfonic acid is C[C@H](O)S(=O)(=O)O.
What is the InChIKey of (1R)-1-hydroxyethanesulfonic acid?
The InChIKey is WLXGQMVCYPUOLM-UWTATZPHSA-N. The full InChI is InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1.
What are the key properties of (1R)-1-hydroxyethanesulfonic acid?
(1R)-1-hydroxyethanesulfonic acid has a molecular weight of 126.13 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxyethanesulfonic acid is sourced from PubChem (CID 76957335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).