Basic information
- CAS
63732-45-6- Standard SMILES
CN1CC[C@]23c4c5ccc(OCc6ccccc6)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5- InChIKey
LYQZTKPUHKQSQL-RNWLQCGYSA-N- Molecular formula
- C24H27NO3
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.19909372
Names & identifiers
- Preferred name
- 3-(Benzyloxy)-17-methyl-4,5-epoxymorphinan-6-ol
- IUPAC
- (4R,4aR,7S,7aR,12bS)-3-methyl-9-phenylmethoxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
- English name
- 3-Benzyloxy-4,5α-epoxy-17-methylmorphinan-6α-ol
- Molecular formula
- C24H27NO3
- Molecular weight
- 377.48
Names & synonyms
63732-45-6DTXSID209802193-(Benzyloxy)-17-methyl-4,5-epoxymorphinan-6-olRefChem:1067001DTXCID001407497BenzyldihydromorphineMorphine, benzyldihydro-BRN 0056033Morphinan-6-alpha-ol, 3-benzyloxy-4,5-alpha-epoxy-17-methyl-4-27-00-02191 (Beilstein Handbook Reference)SCHEMBL67581453-Benzyloxy-4,5alpha-epoxy-17-methylmorphinan-6alpha-ol
Show more names
3-Benzyloxy-4,5α-epoxy-17-methylmorphinan-6α-olMorphinan-6-ol, 4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5α,6α)- (9CI)
DB-3151323-(Benzyloxy)-17-methyl-5alpha-4,5-epoxymorphinan-6alpha-ol
Database identifiers
- CAS
63732-45-6- PubChem CID
- 5745697
- DTXSID
DTXSID20980219- Nikkaji
- J66.321B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 592
Physicochemical properties
- Boiling point
- 552.452 · 552.452±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.31 · 1.310±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.217 · 14.217±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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