Basic information
- CAS
907958-43-4- Standard SMILES
CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(OCC)OCC)OC(C)=O- InChIKey
MLFKJPLMVKLDCA-UHFFFAOYSA-N- Molecular formula
- C26H51F2O6P
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.33913266
Names & identifiers
- Preferred name
- Phosphonic acid, [3-(acetyloxy)-1,1-difluoro-4-(hexadecyloxy)butyl]-, diethyl ester
- IUPAC
- (4-diethoxyphosphoryl-4,4-difluoro-1-hexadecoxybutan-2-yl) acetate
Names & synonyms
NSC699690CHEMBL2005205DTXSID101129610NSC-699690Phosphonic acid, [3-(acetyloxy)-1,1-difluoro-4-(hexadecyloxy)butyl]-, diethyl ester907958-43-4NCI60_0356624-(Diethoxyphosphoryl)-4,4-difluoro-1-(hexadecyloxy)butan-2-yl acetate
Database identifiers
- CAS
907958-43-4- PubChem CID
- 395216
- DTXSID
DTXSID101129610- ChEMBL
CHEMBL2005205
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 26
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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