Chemical Properties of THYMIDINE, 3'-(O-TERT.-BUTYLDIMETHYLSILYL)-5'-ACETYL-

InChI

InChI=1S/C18H30N2O6Si/c1-11-9-20(17(23)19-16(11)22)15-8-13(14(25-15)10-24-12(2)21)26-27(6,7)18(3,4)5/h9,13-15H,8,10H2,1-7H3,(H,19,22,23)

InChI Key

OIFOXIBRKFJNIH-UHFFFAOYSA-N

Formula

C18H30N2O6Si

SMILES

CC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

398.53

Other Names

• Thymidine, 3'-O-TBDMS, 5'-O-acetyl

• 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	0.7996		Relay (... Calculated Property
ΔfG°	-363.86	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1148.14	kJ/mol	Relay (... Calculated Property
ΔvapH°	120.94	kJ/mol	Relay (... Calculated Property
IE	8.30	eV	Relay (... Calculated Property
log10WS	-1.88		Relay (... Calculated Property
logPoct/wat	1.604		Crippen Calculated Property
Pc	1287.36	kPa	Relay (... Calculated Property ⚠️
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	660.73	K	Relay (... Calculated Property
Tc	925.76	K	Relay (... Calculated Property
Tfus	406.76	K	Relay (... Calculated Property
Vc	1.130	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to THYMIDINE, 3'-(O-TERT.-BUTYLDIMETHYLSILYL)-5'-ACETYL-.

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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