Chemical Properties of Tryptophan, 5-methoxy, TMS

InChI

InChI=1S/C21H38N2O3Si3/c1-25-17-11-12-20-18(14-17)16(15-23(20)28(5,6)7)13-19(22-27(2,3)4)21(24)26-29(8,9)10/h11-12,14-15,19,22H,13H2,1-10H3

InChI Key

WWWSWIROBXFOFS-UHFFFAOYSA-N

Formula

C21H38N2O3Si3

SMILES

COc1ccc2c(c1)c(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)cn2[Si](C)(C)C

Molecular Weight¹

450.79

• 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	0.8759		Relay (... Calculated Property
ΔfG°	17.62	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-814.43	kJ/mol	Relay (... Calculated Property
ΔvapH°	103.61	kJ/mol	Relay (... Calculated Property
IE	7.61	eV	Relay (... Calculated Property
log10WS	-4.24		Relay (... Calculated Property
logPoct/wat	5.047		Crippen Calculated Property
Pc	221.09	kPa	Relay (... Calculated Property ⚠️
Inp	[2390.00; 2390.00]
Inp	2390.00		NIST
Inp	2390.00		NIST
Tboil	658.70	K	Relay (... Calculated Property
Tc	915.70	K	Relay (... Calculated Property
Tfus	364.01	K	Relay (... Calculated Property
Vc	1.407	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Tryptophan, 5-methoxy, TMS.

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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