Chemical Properties of 1-Methyladenosine,tris(trimethylsilyl) ether

InChI

InChI=1S/C20H39N5O4Si3/c1-24-12-23-19-15(18(24)21)22-13-25(19)20-17(29-32(8,9)10)16(28-31(5,6)7)14(27-20)11-26-30(2,3)4/h12-14,16-17,20-21H,11H2,1-10H3

InChI Key

JYJSRESQDQPCSC-UHFFFAOYSA-N

Formula

C20H39N5O4Si3

SMILES

Cn1cnc2c(ncn2C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)c1=N

Molecular Weight¹

497.81

Other Names

• 9-((2R,3R,4R,5R)-3,4-Bis(trimethylsilyloxy)-5-[(trimethylsilyloxy)methyl]-tetrahydrofuran-2-yl)-1-methyl-1H-purin-6(9H)-imine
• 9-{(2R,3R,4R,5R)-3,4-Bis(trimethylsilyloxy)-5-[(trimethylsilyloxy)methyl]-tetrahydrofuran-2-yl}-1-methyl-1H-purin-6(9H)-imine

• 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	0.8868		Relay (... Calculated Property
ΔfG°	101.39	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-801.92	kJ/mol	Relay (... Calculated Property
ΔvapH°	118.52	kJ/mol	Relay (... Calculated Property
IE	7.93	eV	Relay (... Calculated Property
log10WS	-3.35		Relay (... Calculated Property
logPoct/wat	3.438		Crippen Calculated Property
Pc	499.81	kPa	Relay (... Calculated Property ⚠️
Inp	[2669.00; 2669.00]
Inp	2669.00		NIST
Inp	2669.00		NIST
Tboil	706.84	K	Relay (... Calculated Property
Tc	998.11	K	Relay (... Calculated Property
Tfus	378.32	K	Relay (... Calculated Property
Vc	1.517	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyladenosine,tris(trimethylsilyl) ether.

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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