Chemical Properties of 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 2

InChI

InChI=1S/C29H48N2O7Si2/c1-13-35-26(33)30-23(25(32)38-40(11,12)29(6,7)8)17-20-19-31(27(34)36-14-2)24-16-15-21(18-22(20)24)37-39(9,10)28(3,4)5/h15-16,18-19,23H,13-14,17H2,1-12H3,(H,30,33)

InChI Key

MOLAGHPXOIRTBN-UHFFFAOYSA-N

Formula

C29H48N2O7Si2

SMILES

CCOC(=O)NC(Cc1cn(C(=O)OCC)c2ccc(O[Si](C)(C)C(C)(C)C)cc12)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

592.87

• 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	1.1913		Relay (... Calculated Property
ΔfG°	-355.07	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1575.46	kJ/mol	Relay (... Calculated Property
ΔvapH°	123.26	kJ/mol	Relay (... Calculated Property
IE	8.04	eV	Relay (... Calculated Property
log10WS	-6.04		Relay (... Calculated Property
logPoct/wat	7.235		Crippen Calculated Property
Pc	196.35	kPa	Relay (... Calculated Property ⚠️
Inp	[3250.00; 3250.00]
Inp	3250.00		NIST
Inp	3250.00		NIST
Tboil	742.07	K	Relay (... Calculated Property
Tc	1028.26	K	Relay (... Calculated Property
Tfus	374.77	K	Relay (... Calculated Property
Vc	1.772	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 2.

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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