Potassium 8-sulfooleate
PubChem CID
139032794
Structure
Molecular Formula
Synonyms
- potassium 8-sulfooleate
- POTASSIUM OLEIC 8-SULFONATE
- 2WO965O644
- (+/-)-POTASSIUM OLEIC 8-SULFONATE
- POTASSIUM OLEIC 8-SULFONATE, (+/-)-
Molecular Weight
438.7 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2019-09-23
- Modify:2024-12-14
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, too flexible, mixture or salt
dipotassium;(Z)-8-sulfonatooctadec-9-enoate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C18H34O5S.2K/c1-2-3-4-5-6-7-8-11-14-17(24(21,22)23)15-12-9-10-13-16-18(19)20;;/h11,14,17H,2-10,12-13,15-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2/b14-11-;;
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
SRHQYZZRPBACSY-LVDFRVDWSA-L
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCC/C=C\C(CCCCCCC(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C18H32K2O5S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
438.7 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
438.1244583 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
438.1244583 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
106Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
418
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.06.18)
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Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingPOTASSIUM 8-SULFOOLEATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2WO965O644
- Wikidatapotassium 8-sulfooleatehttps://www.wikidata.org/wiki/Q27255707
- PubChem
CONTENTS