DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-
Basic information
- CAS
88587-95-5- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O- InChIKey
PDLAMJKMOKWLAJ-NBXXXWFOSA-N- Molecular formula
- C43H81O13P
- Average molar mass
- 837.1 g/mol
- Monoisotopic mass
- 836.54147963
Names & identifiers
- Preferred name
- DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-
- IUPAC
- [(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
Names & synonyms
88587-95-5DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-
Database identifiers
- CAS
88587-95-5- PubChem CID
- 6443073
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 39
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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