2-hydroxy-3-methoxypropane-1-sulfonic acid

C4H10O5S — CID 18335811

IUPAC2-hydroxy-3-methoxypropane-1-sulfonic acid
SMILESCOCC(O)CS(=O)(=O)O
InChIInChI=1S/C4H10O5S/c1-9-2-4(5)3-10(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)
InChIKeySMFVCSFXTHBQGP-UHFFFAOYSA-N
MW170.19 g/mol
LogP-1.12
Rot. Bonds4

About 2-hydroxy-3-methoxypropane-1-sulfonic acid

2-hydroxy-3-methoxypropane-1-sulfonic acid (PubChem CID 18335811) has the molecular formula C4H10O5S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-hydroxy-3-methoxypropane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-3-methoxypropane-1-sulfonic acid
PubChem CID18335811
Molecular FormulaC4H10O5S
Molecular Weight170.19 g/mol
Exact Mass170.02
IUPAC Name2-hydroxy-3-methoxypropane-1-sulfonic acid
SMILESCOCC(O)CS(=O)(=O)O
InChIInChI=1S/C4H10O5S/c1-9-2-4(5)3-10(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)
InChIKeySMFVCSFXTHBQGP-UHFFFAOYSA-N
XLogP-1.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-hydroxypropane-1-sulfonate
CID 413742
2,3-Dihydroxy-1-propanesulfonic acid
CID 112025
(2R)-3-sulfopropanediol
CID 49852441
1-Methylethyl 2-hydroxyethanesulfonate
CID 13274662
2-(2-hydroxyethoxy)ethanesulfonic Acid
CID 11344524
(2S)-2,3-Dihydroxypropane-1-sulfonate
CID 49859677
1,2-Dihydroxypropanesulfonic acid
CID 20211547
2-Hydroxy-1-(propoxy)propane-3-sulfonic acid
CID 53384318
1-Propanesulfonic acid, 3-butoxy-2-hydroxy-, sodium salt (1:1)
CID 23674486
1-Propanesulfonic acid, 2-hydroxy-3-((3-hydroxy-1-propyn-1-yl)oxy)-, sodium salt (1:1)
CID 23675915
1-Propanesulfonic acid, 2-hydroxy-3-[(4-hydroxy-2-butyn-1-yl)oxy]-, sodium salt (1:1)
CID 23706668
3-Butoxy-2-hydroxypropane-1-sulfonic acid
CID 100902

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxypropane-1-sulfonic acid?
The IUPAC name of 2-hydroxy-3-methoxypropane-1-sulfonic acid (CID 18335811) is 2-hydroxy-3-methoxypropane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-3-methoxypropane-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-3-methoxypropane-1-sulfonic acid is COCC(O)CS(=O)(=O)O.
What is the InChIKey of 2-hydroxy-3-methoxypropane-1-sulfonic acid?
The InChIKey is SMFVCSFXTHBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S/c1-9-2-4(5)3-10(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8).
What are the key properties of 2-hydroxy-3-methoxypropane-1-sulfonic acid?
2-hydroxy-3-methoxypropane-1-sulfonic acid has a molecular weight of 170.19 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxypropane-1-sulfonic acid is sourced from PubChem (CID 18335811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).