2-oxo-2-sulfoacetic acid

C2H2O6S — CID 151023764

IUPAC2-oxo-2-sulfoacetic acid
SMILESO=C(O)C(=O)S(=O)(=O)O
InChIInChI=1S/C2H2O6S/c3-1(4)2(5)9(6,7)8/h(H,3,4)(H,6,7,8)
InChIKeyLYPTWZHNWXBLAH-UHFFFAOYSA-N
MW154.10 g/mol
LogP-1.51
Rot. Bonds

About 2-oxo-2-sulfoacetic acid

2-oxo-2-sulfoacetic acid (PubChem CID 151023764) has the molecular formula C2H2O6S and a molecular weight of 154.10 g/mol. Its IUPAC name is 2-oxo-2-sulfoacetic acid.

Molecular Properties

Compound Name2-oxo-2-sulfoacetic acid
PubChem CID151023764
Molecular FormulaC2H2O6S
Molecular Weight154.10 g/mol
Exact Mass153.96
IUPAC Name2-oxo-2-sulfoacetic acid
SMILESO=C(O)C(=O)S(=O)(=O)O
InChIInChI=1S/C2H2O6S/c3-1(4)2(5)9(6,7)8/h(H,3,4)(H,6,7,8)
InChIKeyLYPTWZHNWXBLAH-UHFFFAOYSA-N
XLogP-1.51
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxalosulfonyl-2-oxoacetic acid
CID 87430874
carbonic acid;oxalic acid;sulfuric acid
CID 159893753
strontium;hydride;oxalic acid;sulfuric acid
CID 173409846
dilithium;carbonic acid;hydride;sulfuric acid
CID 173345515
sodium;hydrogen sulfate;iron;oxalic acid
CID 171782917
phosphane;sulfuric acid;zirconium
CID 174478235
lithium;oxalic acid;chloride
CID 175547992
hydron;phosphane;sulfuric acid
CID 173268290
silver;(Z)-2-sulfobut-2-enoic acid
CID 54611580
acetic acid;sulfuric acid
CID 172861121
acetic acid;sulfuric acid
CID 158118264
acetic acid;sulfuric acid
CID 157312003

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-sulfoacetic acid?
The IUPAC name of 2-oxo-2-sulfoacetic acid (CID 151023764) is 2-oxo-2-sulfoacetic acid.
What is the SMILES notation for 2-oxo-2-sulfoacetic acid?
The canonical SMILES for 2-oxo-2-sulfoacetic acid is O=C(O)C(=O)S(=O)(=O)O.
What is the InChIKey of 2-oxo-2-sulfoacetic acid?
The InChIKey is LYPTWZHNWXBLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O6S/c3-1(4)2(5)9(6,7)8/h(H,3,4)(H,6,7,8).
What are the key properties of 2-oxo-2-sulfoacetic acid?
2-oxo-2-sulfoacetic acid has a molecular weight of 154.10 g/mol, XLogP of -1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-sulfoacetic acid is sourced from PubChem (CID 151023764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).