Cas no 74367-14-9 (Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI))

Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI) structure
74367-14-9 structure
Product Name:Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI)
CAS No:74367-14-9
MF:C21H29NO3Si
MW:371.545367002487
CID:5534469
PubChem ID:10474390
Update Time:2023-08-27

Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • DTXSID401345417
    • 74367-14-9
    • O-(Trimethylsilyl)codeine
    • Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI)
    • Inchi: 1S/C21H29NO3Si/c1-22-11-10-21-14-7-9-17(25-26(3,4)5)20(21)24-19-16(23-2)8-6-13(18(19)21)12-15(14)22/h6-9,14-15,17,20H,10-12H2,1-5H3/t14-,15+,17+,20-,21-/m0/s1
    • InChI Key: RXSDDUCBUIPWHI-SCMUXVNPSA-N
    • SMILES: C1=C2C3[C@]45CCN(C)[C@H](C2)[C@]4([H])C=C[C@@H](O[Si](C)(C)C)[C@]5([H])OC=3C(OC)=C1

Computed Properties

  • Exact Mass: 371.19167032g/mol
  • Monoisotopic Mass: 371.19167032g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 605
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 30.9?2

Experimental Properties

  • Density: 1.17±0.1 g/cm3(Predicted)
  • Boiling Point: 440.1±45.0 °C(Predicted)
  • pka: 8.03±0.40(Predicted)
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