9-Octadecenoic acid (9Z)-, (1R)-1-[[[hydroxy(4-hydroxybutoxy)phosphinyl]oxy]methyl]-2-[(1-oxododecyl)oxy]ethyl ester
Basic information
- CAS
32309-96-9- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCCCO- InChIKey
PMWGKZWZYHVODZ-UHFFFAOYSA-N- Molecular formula
- C37H71O9P
- Average molar mass
- 690.9 g/mol
- Monoisotopic mass
- 690.48357084
Names & identifiers
- Preferred name
- 9-Octadecenoic acid (9Z)-, (1R)-1-[[[hydroxy(4-hydroxybutoxy)phosphinyl]oxy]methyl]-2-[(1-oxododecyl)oxy]ethyl ester
- IUPAC
- [1-dodecanoyloxy-3-[hydroxy(4-hydroxybutoxy)phosphoryl]oxypropan-2-yl] octadec-9-enoate
Names & synonyms
DTXSID30110633932309-96-99-Octadecenoic acid (9Z)-, (1R)-1-[[[hydroxy(4-hydroxybutoxy)phosphinyl]oxy]methyl]-2-[(1-oxododecyl)oxy]ethyl ester
Database identifiers
- CAS
32309-96-9- PubChem CID
- 165367204
- DTXSID
DTXSID301106339
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 38
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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