Chemical Properties of N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS

InChI

InChI=1S/C22H43N5O3Si3/c1-22(2,3)33(10,11)30-16-12-18(29-17(16)13-28-32(7,8)9)27-15-25-19-20(26-31(4,5)6)23-14-24-21(19)27/h14-18H,12-13H2,1-11H3,(H,23,24,26)/t16?,17-,18-/m1/s1

InChI Key

VLFBIPUDWQTHFK-UKKPGEIXSA-N

Formula

C22H43N5O3Si3

SMILES

CC(C)(C)[Si](C)(C)OC1CC(n2cnc3c(N[Si](C)(C)C)ncnc32)OC1CO[Si](C)(C)C

Molecular Weight¹

509.87

• 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	0.8693		Relay (... Calculated Property
ΔfG°	244.81	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-687.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	112.23	kJ/mol	Relay (... Calculated Property
IE	8.20	eV	Relay (... Calculated Property
log10WS	-4.51		Relay (... Calculated Property
logPoct/wat	5.602		Crippen Calculated Property
Pc	413.34	kPa	Relay (... Calculated Property ⚠️
Inp	[2841.00; 2841.00]
Inp	2841.00		NIST
Inp	2841.00		NIST
Tboil	699.41	K	Relay (... Calculated Property
Tc	1018.45	K	Relay (... Calculated Property
Tfus	384.79	K	Relay (... Calculated Property
Vc	1.586	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to N6-TMS-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-OTMS.

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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