Sodium hydrogen (R)-12-(sulphooxy)oleate
Basic information
- CAS
61702-68-9- Standard SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]- InChIKey
CEYMAQXEHXAQEP-GKKIQAINSA-L- Molecular formula
- C18H32Na2O6S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.17149847
Overview
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Names & identifiers
- Preferred name
- Sodium hydrogen (R)-12-(sulphooxy)oleate
- IUPAC
- disodium;(Z,12R)-12-sulfonatooxyoctadec-9-enoate
- English name
- (9Z,12R)-12-[(Sodiosulfo)oxy]-9-octadecenoic acid sodium salt
- Molecular formula
- C18H32Na2O6S
- Molecular weight
- 424.51
Names & synonyms
Sodium hydrogen (R)-12-(sulphooxy)oleateEINECS 232-456-361702-68-98043-44-59-Octadecenoic acid, 12-(sulfooxy)-, sodium salt, (9Z,12R)-9-Octadecenoic acid, 12-(sulfooxy)-, sodium salt (1:?), (9Z,12R)-9-Octadecenoic acid, 12-(sulfooxy)-, disodium salt, (9Z,12R)-CEYMAQXEHXAQEP-GKKIQAINSA-LDTXSID7013403239-Octadecenoic acid, 12-(sulfooxy)-, sodium salt (1:2), (9Z,12R)-(9Z,12R)-12-(Sulfooxy)-9-octadecenoic acid sodium salt (1:2)(9Z,12R)-12-[(Sodiosulfo)oxy]-9-octadecenoic acid sodium salt
Show more names
(Z,12R)-12-sulfonatooxyoctadec-9-enoate
Database identifiers
- CAS
61702-68-9、8043-44-5- PubChem CID
- 6435906
- DTXSID
DTXSID701340323
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- EPA Substance Registry System
- 9 · 9-Octadecenoic acid, 12-(sulfooxy)-, disodium salt, (9Z,12R)- (61702-68-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
9-Octadecenoic acid, 12-(sulfooxy)-, sodium salt (1:?), (9Z,12R)-: INACTIVE
9-Octadecenoic acid, 12-(sulfooxy)-, sodium salt (1:2), (9Z,12R)-: INACTIVE
Related reactions
0 records
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Compound notes
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