Retinoyl fluoride
Basic information
- CAS
83802-77-1- Standard SMILES
CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(=O)F)C(C)(C)CCC1- InChIKey
VARWSCYBSIOUBX-YCNIQYBTSA-N- Molecular formula
- C20H27FO
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.20459364
Overview
structure given in first source
Names & identifiers
- Preferred name
- Retinoyl fluoride
- IUPAC
- (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl fluoride
- English name
- retinoyl fluoride
- Molecular formula
- C20H27FO
- Molecular weight
- 302.43
Names & synonyms
Retinoyl fluoride83802-77-19-cis-Retinoyl fluorideRefChem:178987all-trans-Retinoyl Fluoride15-Fluororetinonetrans-Retinoyl fluoride(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl fluoride
Database identifiers
- CAS
83802-77-1- PubChem CID
- 6439675
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Melting point
- 65 · 65-67 °C
- Boiling point
- 414.51 · 414.510±18.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.991 · 0.991±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Applications
Usesall-trans-Retinoyl Fluoride is an intermediate used in the synthesis of all-trans Retinoyl β-D-Glucuronide (R253500), which is a biliary metabolite of Vitamin A, occurs endogenously in human blood. RAG is biologically active in promoting the growth of vitamin A-deficient rats and the induction of differentiation of HL-60 and BA-HAN-1C cells, but less cytotoxic than Retinoic Acids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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