2,3-Diaceto-1-stearin
Basic information
- CAS
33599-07-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O- InChIKey
WSYNAKWAAXYNMW-UHFFFAOYSA-N- Molecular formula
- C25H46O6
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.32943918
Overview
2,3-Diacetoxypropyl stearate is a triglyceride.
Names & identifiers
- Preferred name
- 2,3-Diaceto-1-stearin
- IUPAC
- 2,3-diacetyloxypropyl octadecanoate
- English name
- 1,2,3-Propanetriol 1-stearate 2,3-bisacetate
- Molecular formula
- C25H46O6
- Molecular weight
- 442.63
Names & synonyms
33599-07-42,3-Diaceto-1-stearinDTXSID40274041RefChem:1059312DTXCID401965123-(STEAROYLOXY)PROPANE-1,2-DIYL DIACETATE2,3-diacetoxypropyl stearate2,3-diacetyloxypropyl octadecanoateOctadecanoic acid, 2,3-bis(acetyloxy)propyl esterOctadecanoic acid, 2,3-bis (acetyloxy)propyl esterStearic acid, 2,3-dihydroxypropyl ester diacetate2,3-BIS(ACETYLOXY)PROPYL OCTADECANOATE
Show more names
Glycerin 1,2-diacetate 3-stearate1,2-diacetoxy-3-stearoyloxy-propaneGlycerol 1,2-diacetate 3-octadecanoateOctadecanoic acid 2,3-bis(acetyloxy)propyl ester
1,2,3-Propanetriol 1-stearate 2,3-bisacetateSCHEMBL385116orb32171221,2-diacetyl-3-stearoylglycerol2,3-diacetoxypropyl octadecanoateCHEBI:1726812,3-Bis(acetyloxy)propyl stearateNSC83201
Database identifiers
- CAS
33599-07-4- PubChem CID
- 256388
- DTXSID
DTXSID40274041- ChEBI
CHEBI:172681- Nikkaji
- J119.024E
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Melting point
- 36.4 °C · 36.4 °C
- Boiling point
- 482.9 · 482.9±12.0 °C(Predicted)
- Density
- 0.9423 g/cm3 · 0.9423 g/cm3(Temp: 50 °C)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: 2,3-Diacetoxypropyl stearate is a triglyceride.
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