Chemical Properties of Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester) (CAS 66091-22-3)

Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester)

InChI
InChI=1S/C21H17F6NO5/c1-28-7-6-19-10-3-5-13(32-18(30)21(25,26)27)16(19)33-15-12(31-17(29)20(22,23)24)4-2-9(14(15)19)8-11(10)28/h2-5,10-11,13,16H,6-8H2,1H3
InChI Key
BTEJWQJJORMUAG-UHFFFAOYSA-N
Formula
C21H17F6NO5
SMILES
CN1CCC23c4c5ccc(OC(=O)C(F)(F)F)c4OC2C(OC(=O)C(F)(F)F)C=CC3C1C5
Molecular Weight1
477.35
CAS
66091-22-3
Other Names
  • Morphine, bis-TFA
  • Morphine, O,O-bis-TFA
  • Morphine O,O-bis(trifluoroacetate)
  • Morphine, TFA
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Physical Properties

Property Value Unit Source
ω 0.7091 Relay (1.0) Calculated Property
ΔfG° -1290.87 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1808.90 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 117.85 kJ/mol Relay (1.0) Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -3.78 Relay (1.0) Calculated Property
logPoct/wat 3.073 Crippen Calculated Property
McVol 276.600 ml/mol McGowan Calculated Property
Pc 778.51 kPa Relay (1.0-beta) Calculated Property
Tboil 641.68 K Relay (1.0) Calculated Property
Tc 918.75 K Relay (1.0) Calculated Property
Tfus 397.46 K Relay (1.0) Calculated Property
Vc 1.064 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Codeine-propionyl. Nalmefene. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Ajmaline. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Strychnine. Normorphine TMS. acetylepibaptifoline. Neopine. Galantamin. Deserpidine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Dihydroergokryptine. 3-O,6-O,N-Triacetylnormorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl.

Find more compounds similar to Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester).

Sources

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