2-hydroxyacetic acid;sulfurous acid

C2H6O6S — CID 87280138

IUPAC2-hydroxyacetic acid;sulfurous acid
SMILESO=C(O)CO.O=S(O)O
InChIInChI=1S/C2H4O3.H2O3S/c3-1-2(4)5;1-4(2)3/h3H,1H2,(H,4,5);(H2,1,2,3)
InChIKeyIVNFWPTWBAOHJC-UHFFFAOYSA-N
MW158.13 g/mol
LogP-1.26
Rot. Bonds1

About 2-hydroxyacetic acid;sulfurous acid

2-hydroxyacetic acid;sulfurous acid (PubChem CID 87280138) has the molecular formula C2H6O6S and a molecular weight of 158.13 g/mol. Its IUPAC name is 2-hydroxyacetic acid;sulfurous acid.

Molecular Properties

Compound Name2-hydroxyacetic acid;sulfurous acid
PubChem CID87280138
Molecular FormulaC2H6O6S
Molecular Weight158.13 g/mol
Exact Mass157.99
IUPAC Name2-hydroxyacetic acid;sulfurous acid
SMILESO=C(O)CO.O=S(O)O
InChIInChI=1S/C2H4O3.H2O3S/c3-1-2(4)5;1-4(2)3/h3H,1H2,(H,4,5);(H2,1,2,3)
InChIKeyIVNFWPTWBAOHJC-UHFFFAOYSA-N
XLogP-1.26
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2-hydroxyacetic acid);silane
CID 173225780
bis(2-hydroxyacetic acid);methane
CID 158039555
CID 88684247
CID 88684247
azane;2-hydroxyacetic acid;zirconium
CID 173458110
benzene;2-hydroxyacetic acid
CID 67764636
dioxidanium;bis(2-hydroxyacetic acid);manganese
CID 5232950
2-hydroxyacetic acid;silane;zirconium
CID 174940076
heptakis(2-hydroxyacetic acid);yttrium;zirconium
CID 154733245
acetylene;2-hydroxyacetic acid
CID 158693227
2-sulfanylacetic acid;sulfurous acid
CID 163597017
ethane-1,2-diol;2-hydroxyacetic acid;stibane
CID 174707857
carbonic acid;sulfane;sulfurous acid
CID 88746188

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;sulfurous acid?
The IUPAC name of 2-hydroxyacetic acid;sulfurous acid (CID 87280138) is 2-hydroxyacetic acid;sulfurous acid.
What is the SMILES notation for 2-hydroxyacetic acid;sulfurous acid?
The canonical SMILES for 2-hydroxyacetic acid;sulfurous acid is O=C(O)CO.O=S(O)O.
What is the InChIKey of 2-hydroxyacetic acid;sulfurous acid?
The InChIKey is IVNFWPTWBAOHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.H2O3S/c3-1-2(4)5;1-4(2)3/h3H,1H2,(H,4,5);(H2,1,2,3).
What are the key properties of 2-hydroxyacetic acid;sulfurous acid?
2-hydroxyacetic acid;sulfurous acid has a molecular weight of 158.13 g/mol, XLogP of -1.26, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;sulfurous acid is sourced from PubChem (CID 87280138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).