Octadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3)
Basic information
- CAS
14356-65-1- Standard SMILES
CCCCCCCCC(CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
VWBPLZUSCZPZRG-UHFFFAOYSA-K- Molecular formula
- C57H107Na3O18S3
- Average molar mass
- 1,245.6 g/mol
- Monoisotopic mass
- 1,244.63126293
Names & identifiers
- Preferred name
- Octadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3)
- IUPAC
- trisodium;[18-[1,3-bis(10-sulfonatooxyoctadecanoyloxy)propan-2-yloxy]-18-oxooctadecan-9-yl] sulfate
Names & synonyms
14356-65-1EINECS 238-323-6Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium saltDTXSID30134045210-Hydroxyoctadecanoic acid, 1,2,3-propanetriyl ester, trisulfate, trisodium saltOctadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3)RefChem:855559DTXCID501769703VWBPLZUSCZPZRG-UHFFFAOYSA-KTris(10-hydroxyoctadecanoic) acid, triester with trisodium propane-1,2,3-triyl tris(sulphate)Octadecanoic acid, 10-(sulfooxy)-, 1,1a(2),1a(2)a(2)-(1,2,3-propanetriyl) ester, sodium salt (1:3)
Database identifiers
- CAS
14356-65-1- PubChem CID
- 167076
- DTXSID
DTXSID301340452- EC Number
- 238-323-6
- Nikkaji
- J216.985A
Properties
Computed structural properties
- Topological polar surface area
- 303 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 59
- Heavy atoms
- 81
- Formal charge
- 0
- Complexity
- 1,640
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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