2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid

C5H12O6S — CID 4219685

IUPAC2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid
SMILESCC(O)(COCCO)S(=O)(=O)O
InChIInChI=1S/C5H12O6S/c1-5(7,12(8,9)10)4-11-3-2-6/h6-7H,2-4H2,1H3,(H,8,9,10)
InChIKeyHTSUSMNJTHWPQP-UHFFFAOYSA-N
MW200.21 g/mol
LogP-1.41
Rot. Bonds5

About 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid

2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid (PubChem CID 4219685) has the molecular formula C5H12O6S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid
PubChem CID4219685
Molecular FormulaC5H12O6S
Molecular Weight200.21 g/mol
Exact Mass200.04
IUPAC Name2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid
SMILESCC(O)(COCCO)S(=O)(=O)O
InChIInChI=1S/C5H12O6S/c1-5(7,12(8,9)10)4-11-3-2-6/h6-7H,2-4H2,1H3,(H,8,9,10)
InChIKeyHTSUSMNJTHWPQP-UHFFFAOYSA-N
XLogP-1.41
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(2-hydroxyethoxy)ethanesulfonic Acid
CID 11344524
2-Hydroxy-1-(propoxy)propane-3-sulfonic acid
CID 53384318
3-Butoxy-2-hydroxypropane-1-sulfonic acid
CID 100902
1,2-Dihydroxypropane-2-sulfonic acid
CID 9989793
3-[2-(2-Hydroxyethoxy)ethoxy]propane-1-sulfonic acid
CID 11096357
3-(2-Hydroxyethoxy)propane-1-sulfonic acid
CID 12419091
3-(2-Hydroxypropoxy)propane-1-sulfonic acid
CID 12419093
2-Hydroxy-3-methoxypropane-1-sulfonate
CID 18335810
2-Hydroxy-3-methoxypropane-1-sulfonic acid
CID 18335811
3-Butoxy-2-hydroxypropane-1-sulfonate
CID 18335816
3-Ethoxy-2-hydroxypropane-1-sulfonate
CID 19833242
3-Ethoxy-2-hydroxypropane-1-sulfonic acid
CID 19833243

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid?
The IUPAC name of 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid (CID 4219685) is 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid?
The canonical SMILES for 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid is CC(O)(COCCO)S(=O)(=O)O.
What is the InChIKey of 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid?
The InChIKey is HTSUSMNJTHWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O6S/c1-5(7,12(8,9)10)4-11-3-2-6/h6-7H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid?
2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid has a molecular weight of 200.21 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxyethoxy)propane-2-sulfonic acid is sourced from PubChem (CID 4219685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).