Chemical Properties of L-Tyrosine, N,O-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 107716-01-8)

InChI

InChI=1S/C27H53NO3Si3/c1-25(2,3)32(10,11)28-23(24(29)31-34(14,15)27(7,8)9)20-21-16-18-22(19-17-21)30-33(12,13)26(4,5)6/h16-19,23,28H,20H2,1-15H3/t23-/m1/s1

InChI Key

QIFNZTAFWUSNEI-HSZRJFAPSA-N

Formula

C27H53NO3Si3

SMILES

CC(C)(C)[Si](C)(C)NC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

523.97

CAS

107716-01-8

Other Names

• N,O,O-Tris(dimethyl-t-butylsilyl)-l-tyrosine
• Tyrosine, N,O,O-tris-TBDMS
• Tyrosine triTBDMS
• Tyr, N,O,O-tris-TBDMS
• Tyr, TBDMS
• Tyrosine, TBDMS
• L-tyrosine, 3tbdms 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	0.8460		Relay (1.0) Calculated Property
ΔfG°	-25.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1013.24	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.12	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	8.125		Crippen Calculated Property
Pc	715.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[2617.70; 2650.00]
Inp	2650.00		NIST
Inp	2650.00		NIST
Inp	2617.70		NIST
Inp	2649.00		NIST
Tboil	641.76	K	Relay (1.0) Calculated Property
Tc	913.84	K	Relay (1.0) Calculated Property
Tfus	355.71	K	Relay (1.0) Calculated Property
Vc	1.736	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Tyrosine, N,O-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester.

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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