Acesulfame potassiumProduct ingredient for Acesulfame

Name
Acesulfame potassium
Drug Entry
Acesulfame
Accession Number
DBSALT003222
Structure
Synonyms
Acesulfame K / Acesulfame potassium salt
External IDs
E 950 / E-950 / INS 950 / INS-950 / NSC-760104
UNII
23OV73Q5G9
CAS Number
55589-62-3
Weight
Average: 201.24
Monoisotopic: 200.94981028
Chemical Formula
C4H4KNO4S
InChI Key
WBZFUFAFFUEMEI-UHFFFAOYSA-M
InChI
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
IUPAC Name
potassium 6-methyl-2,2-dioxo-1,2lambda6,3-oxathiazin-4-olate
SMILES
[K+].CC1=CC([O-])=NS(=O)(=O)O1
ChemSpider
55940
ChEBI
184415
ChEMBL
CHEMBL1351474
Wikipedia
Acesulfame_potassium
Predicted Properties
PropertyValueSource
Water Solubility7.56 mg/mLALOGPS
logP0.49ALOGPS
logP-0.18Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)4.22Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area78.79 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity44.41 m3·mol-1Chemaxon
Polarizability12.95 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon