2-PROPENOIC ACID, TELOMER WITH SODIUM 2-METHYL-2-((1-OXO-2-PROPENYL)AMINO)-1-PROPANE SULFONATE AND SODIUM PHOSPHINATE
General Information
| Mainterm | 2-PROPENOIC ACID, TELOMER WITH SODIUM 2-METHYL-2-((1-OXO-2-PROPENYL)AMINO)-1-PROPANE SULFONATE AND SODIUM PHOSPHINATE |
| CAS Reg.No.(or other ID) | 110224-99-2 |
| Regnum |
176.170 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 44145395 |
| IUPAC Name | disodium;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;phosphinite;prop-2-enoic acid |
| InChI | InChI=1S/C7H13NO4S.C3H4O2.2Na.H2OP/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-2-3(4)5;;;1-2/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1H2,(H,4,5);;;2H2/q;;2*+1;-1/p-1 |
| InChI Key | COMCQVMUJUBJSV-UHFFFAOYSA-M |
| Canonical SMILES | CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.C=CC(=O)O.[O-]P.[Na+].[Na+] |
| Molecular Formula | C10H18NNa2O7PS |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 373.267 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Complexity | 344.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B y O D J 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 H g Q Q C C A Q D I i F w A C C C A L A A g K I A C H S G H D A A A A A A A A I A A A A A E A A B A A A A A A A A A A A F A C A E I 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 | 155.0 |
| Monoisotopic Mass | 373.034 |
| Exact Mass | 373.034 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 5 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acids |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Acrylic acid - Acrylic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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 organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
From ClassyFire