7,8-Didehydro-4,5alpha-epoxy-17-methyl-3,6alpha-bis[(trimethylsilyl)oxy]morphinan
Basic information
- CAS
55449-66-6- Standard SMILES
CN1CC[C@]23c4c5ccc(O[Si](C)(C)C)c4O[C@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C5- InChIKey
WGFFZYSWLVJOLB-JIAAILLZSA-N- Molecular formula
- C23H35NO3Si2
- Average molar mass
- 429.7 g/mol
Names & identifiers
- Preferred name
- 7,8-Didehydro-4,5alpha-epoxy-17-methyl-3,6alpha-bis[(trimethylsilyl)oxy]morphinan
- IUPAC
- [(4R,4aR,7S,7aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane
- English name
- 7,8-Didehydro-4,5α-epoxy-17-methyl-3,6α-bis[(trimethylsilyl)oxy]morphinan
- Molecular formula
- C23H35NO3Si2
- Molecular weight
- 429.7
Names & synonyms
7,8-Didehydro-4,5alpha-epoxy-17-methyl-3,6alpha-bis[(trimethylsilyl)oxy]morphinanDB-30724355449-66-67,8-Didehydro-4,5α-epoxy-17-methyl-3,6α-bis[(trimethylsilyl)oxy]morphinanMorphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5α,6α)-
Database identifiers
- CAS
55449-66-6- Nikkaji
- J114.642D
Properties
Computed structural properties
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
Physicochemical properties
- Boiling point
- 447.8 · 447.8±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 8.06 · 8.06±0.40(Predicted)
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Compound notes
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