sodium 2-hydroxy-2-sulfinoacetate

C2H3NaO5S — CID 174450931

IUPACsodium 2-hydroxy-2-sulfinoacetate
SMILESO=C([O-])C(O)S(=O)O.[Na+]
InChIInChI=1S/C2H4O5S.Na/c3-1(4)2(5)8(6)7;/h2,5H,(H,3,4)(H,6,7);/q;+1/p-1
InChIKeyXXIJLZCMICIETD-UHFFFAOYSA-M
MW162.10 g/mol
LogP-5.72
Rot. Bonds2

About sodium 2-hydroxy-2-sulfinoacetate

sodium 2-hydroxy-2-sulfinoacetate (PubChem CID 174450931) has the molecular formula C2H3NaO5S and a molecular weight of 162.10 g/mol. Its IUPAC name is sodium 2-hydroxy-2-sulfinoacetate.

Molecular Properties

Compound Namesodium 2-hydroxy-2-sulfinoacetate
PubChem CID174450931
Molecular FormulaC2H3NaO5S
Molecular Weight162.10 g/mol
Exact Mass161.96
IUPAC Namesodium 2-hydroxy-2-sulfinoacetate
SMILESO=C([O-])C(O)S(=O)O.[Na+]
InChIInChI=1S/C2H4O5S.Na/c3-1(4)2(5)8(6)7;/h2,5H,(H,3,4)(H,6,7);/q;+1/p-1
InChIKeyXXIJLZCMICIETD-UHFFFAOYSA-M
XLogP-5.72
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 5-5.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 2-hydroxy-2-sulfinoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;azane;hydrogen sulfite
CID 173222991
sodium;zinc;hydrogen sulfite
CID 160800284
sodium;hydrogen sulfite;sulfurous acid
CID 173350028
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
CID 86636910
CID 86636910
1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
2,3-dihydroxybutanedioate
CID 19608871
iodanium;disodium;hydrogen sulfite;sulfite
CID 172740799
trisodium;hydrogen sulfite;bromide;chloride
CID 172849286
azanium;sodium;hydrogen sulfite;urea
CID 161388694

Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxy-2-sulfinoacetate?
The IUPAC name of sodium 2-hydroxy-2-sulfinoacetate (CID 174450931) is sodium 2-hydroxy-2-sulfinoacetate.
What is the SMILES notation for sodium 2-hydroxy-2-sulfinoacetate?
The canonical SMILES for sodium 2-hydroxy-2-sulfinoacetate is O=C([O-])C(O)S(=O)O.[Na+].
What is the InChIKey of sodium 2-hydroxy-2-sulfinoacetate?
The InChIKey is XXIJLZCMICIETD-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O5S.Na/c3-1(4)2(5)8(6)7;/h2,5H,(H,3,4)(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2-hydroxy-2-sulfinoacetate?
sodium 2-hydroxy-2-sulfinoacetate has a molecular weight of 162.10 g/mol, XLogP of -5.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxy-2-sulfinoacetate is sourced from PubChem (CID 174450931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).