Phosphoric acid--17-methylmorphinan (1/1)

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Basic information

CAS: 63732-35-4
Standard SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccccc13.O=P(O)(O)O
InChIKey: VQQGMYWNLQESNT-VNMUXGFYSA-N
Molecular formula: C17H26NO4P
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.15994531

Names & identifiers

Preferred name: Phosphoric acid--17-methylmorphinan (1/1)
IUPAC: (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;phosphoric acid

Names & synonyms

63732-35-4DTXSID70980209Phosphoric acid--17-methylmorphinan (1/1)RefChem:1095418DTXCID401407487N-Methylmorphinan phosphateMorphinan, N-methyl-, phosphate(+-)-17-Methylmorphinan phosphateMorphinan, 17-methyl-, phosphate, (+-)-63783-51-7

Database identifiers

CAS: 63732-35-4、63783-51-7
PubChem CID: 5486067
DTXSID: DTXSID70980209

Properties

Computed structural properties

Topological polar surface area: 81 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 23
Formal charge: 0
Complexity: 375

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Compound notes

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