1,2,3-Propanetricarboxylic acid, 2-hydroxy-, octadecyl ester, ester with 1,2,3-propanetriol mono-(9Z)-9-octadecenoate
Basic information
- CAS
68332-80-9- Standard SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)O- InChIKey
KSOMIKMATPQVFH-CZIZESTLSA-N- Molecular formula
- C45H82O10
- Average molar mass
- 783.1 g/mol
- Monoisotopic mass
- 782.59079881
Names & identifiers
- Preferred name
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, octadecyl ester, ester with 1,2,3-propanetriol mono-(9Z)-9-octadecenoate
- IUPAC
- 2-hydroxy-2-[2-[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropoxy]-2-oxoethyl]-4-octadecoxy-4-oxobutanoic acid
Names & synonyms
Glycerol monoleate, stearyl citrateDTXSID0010150601,2,3-Propanetricarboxylic acid, 2-hydroxy-, octadecyl ester, ester with 1,2,3-propanetriol mono-(9Z)-9-octadecenoate68332-80-9RefChem:71399DTXCID0014733852-Hydroxy-2-[2-(2-hydroxy-3-{[(9E)-octadec-9-enoyl]oxy}propoxy)-2-oxoethyl]-4-(octadecyloxy)-4-oxobutanoic acid
Database identifiers
- CAS
68332-80-9- PubChem CID
- 6437451
- DTXSID
DTXSID001015060
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 44
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 967
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,3-Propanetricarboxylic acid, 2-hydroxy-, octadecyl ester, ester with 1,2,3-propanetriol mono-(9Z)-9-octadecenoate: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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