17-(Prop-2-en-1-yl)morphinan-3-yl dihydrogen phosphate
Basic information
- CAS
63732-41-2- Standard SMILES
C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OP(=O)(O)O)cc13- InChIKey
WEZYGLVLIQZWQM-QXAKKESOSA-N- Molecular formula
- C19H26NO4P
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.15994531
Names & identifiers
- Preferred name
- 17-(Prop-2-en-1-yl)morphinan-3-yl dihydrogen phosphate
- IUPAC
- [(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] dihydrogen phosphate
- English name
- (-)-17-Allylmorphinan-3-ol dihydrogen phosphate
- Molecular formula
- C19H26NO4P
- Molecular weight
- 363.39
Names & synonyms
63732-41-2DTXSID8098021517-(Prop-2-en-1-yl)morphinan-3-yl dihydrogen phosphateRefChem:1057606DTXCID201407493(-)-17-Allylmorphinan-3-ol phosphate (ester)Morphinan-3-ol, 17-allyl-, phosphate (ester), (-)-(-)-17-Allylmorphinan-3-ol dihydrogen phosphateDB-214553Morphinan-3-ol, 17-(2-propenyl)-, dihydrogen phosphate (ester) (9CI)
Database identifiers
- CAS
63732-41-2- PubChem CID
- 5486077
- DTXSID
DTXSID80980215- Nikkaji
- J153.908F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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