Chemical Properties of Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)- (CAS 55449-66-6)

InChI

InChI=1S/C23H35NO3Si2/c1-24-13-12-23-16-9-11-19(27-29(5,6)7)22(23)25-21-18(26-28(2,3)4)10-8-15(20(21)23)14-17(16)24/h8-11,16-17,19,22H,12-14H2,1-7H3

InChI Key

WGFFZYSWLVJOLB-UHFFFAOYSA-N

Formula

C23H35NO3Si2

SMILES

CN1CCC23c4c5ccc(O[Si](C)(C)C)c4OC2C(O[Si](C)(C)C)C=CC3C1C5

Molecular Weight¹

429.70

CAS

55449-66-6

Other Names

• Morphine, bis(trimethylsilyl)-
• Morphine di-TMS derivative
• Morphine bis-O-TMS
• Morphine, bis-TMS
• Morphine, diTMS
• Morphine, bis(trimethylsilyl) derivative
• Morphine, TMS
• Hydromorphone, bis-TMS
• Hydromorphone bis-O-TMS
• Hydromorphone TMS
• Morphine, 2tms derivative

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6752		Relay (1.0) Calculated Property
ΔfG°	67.70	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-545.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	4.565		Crippen Calculated Property
Pc	317.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[2513.00; 2550.00]
Inp	2513.00		NIST
Inp	2550.00		NIST
Inp	2513.00		NIST
Tboil	670.70	K	Relay (1.0) Calculated Property
Tc	943.49	K	Relay (1.0) Calculated Property
Tfus	376.51	K	Relay (1.0) Calculated Property
Vc	1.332	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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