hydroxysulfinoacetic acid, disodium salt
General Information
| Mainterm | hydroxysulfinoacetic acid, disodium salt |
| CAS Reg.No.(or other ID) | 223106-41-0 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 71587657 |
| IUPAC Name | disodium;2-hydroxy-2-sulfinatoacetate |
| InChI | InChI=1S/C2H4O5S.2Na/c3-1(4)2(5)8(6)7;;/h2,5H,(H,3,4)(H,6,7);;/q;2*+1/p-2 |
| InChI Key | KLSBASGQHCAVHQ-UHFFFAOYSA-L |
| Canonical SMILES | C(C(=O)[O-])(O)S(=O)[O-].[Na+].[Na+] |
| Molecular Formula | C2H2Na2O5S |
| Wikipedia | disodium 2-hydroxy-2-sulfinatoacetate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 184.073 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Complexity | 109.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q B A O D B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g Q A C A A A A A C k w A K A C A A A A g I I A A C Q C G J A A A A A A A A A A A B A A A A B E A A A A A A A A A A A A A A B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 120.0 |
| Monoisotopic Mass | 183.942 |
| Exact Mass | 183.942 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid salts |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carboxylic acid salt - Sulfinic acid derivative - Alkanesulfinic acid or derivatives - Alkanesulfinic acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic salt - Organic sodium salt - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. |
From ClassyFire