SODIUM TETRADECYLSULFATE
General Information
| Mainterm | SODIUM TETRADECYLSULFATE |
| CAS Reg.No.(or other ID) | 139-88-8 |
| Regnum |
175.105 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23665772 |
| IUPAC Name | sodium;(7-ethyl-2-methylundecan-4-yl) sulfate |
| InChI | InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1 |
| InChI Key | FVEFRICMTUKAML-UHFFFAOYSA-M |
| Canonical SMILES | CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+] |
| Molecular Formula | C14H29NaO4S |
| Wikipedia | Sodium tetradecyl sulfate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 316.432 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Complexity | 312.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w O C 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 A A A A A A D R S g g A I C A A A A A A A A A A A A A D A A A A A A A A A A A A A A A A A A A A I A A A A A A A A E A A A A A A G A w O A O 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 | 74.8 |
| Monoisotopic Mass | 316.168 |
| Exact Mass | 316.168 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Sulfuric acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfuric acid monoesters |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group). |
From ClassyFire
Targets
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Protein C is a vitamin K-dependent serine protease that regulates blood coagulation by inactivating factors Va and VIIIa in the presence of calcium ions and phospholipids (PubMed:25618265). Exerts a protective effect on the endothelial cell barrier function (PubMed:25651845).
- Gene Name:
- PROC
- Uniprot ID:
- P04070
- Molecular Weight:
- 52070.82 Da
- General Function:
- Endopeptidase inhibitor activity
- Specific Function:
- Anticoagulant plasma protein; it is a cofactor to activated protein C in the degradation of coagulation factors Va and VIIIa. It helps to prevent coagulation and stimulating fibrinolysis.
- Gene Name:
- PROS1
- Uniprot ID:
- P07225
- Molecular Weight:
- 75121.905 Da
From T3DB