Chemical Properties of 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 1

InChI

InChI=1S/C26H44N2O5Si2/c1-12-31-24(30)28-22(23(29)33-35(10,11)26(5,6)7)15-18-17-27-21-14-13-19(16-20(18)21)32-34(8,9)25(2,3)4/h13-14,16-17,22,27H,12,15H2,1-11H3,(H,28,30)

InChI Key

NPVHCWHHMBWIAR-UHFFFAOYSA-N

Formula

C26H44N2O5Si2

SMILES

CCOC(=O)NC(Cc1c[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

520.81

• 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	1.0156		Relay (... Calculated Property
ΔfG°	-175.42	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1200.78	kJ/mol	Relay (... Calculated Property
ΔvapH°	121.93	kJ/mol	Relay (... Calculated Property
IE	7.71	eV	Relay (... Calculated Property
log10WS	-5.69		Relay (... Calculated Property
logPoct/wat	6.276		Crippen Calculated Property
Pc	699.18	kPa	Relay (... Calculated Property ⚠️
Inp	[3206.00; 3206.00]
Inp	3206.00		NIST
Inp	3206.00		NIST
Tboil	708.19	K	Relay (... Calculated Property
Tc	1018.69	K	Relay (... Calculated Property
Tfus	401.75	K	Relay (... Calculated Property
Vc	1.577	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 1.

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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