Chemical Properties of Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate] (CAS 32645-70-8)

InChI

InChI=1S/C22H46N5O6PSi4/c1-35(2,3)26-21-20-22(24-15-23-21)27(16-25-20)19-13-17(31-36(4,5)6)18(30-19)14-29-34(28,32-37(7,8)9)33-38(10,11)12/h15-19H,13-14H2,1-12H3,(H,23,24,26)

InChI Key

LDQVYNZLWNEILO-UHFFFAOYSA-N

Formula

C22H46N5O6PSi4

SMILES

C[Si](C)(C)Nc1ncnc2c1ncn2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1

Molecular Weight¹

619.95

CAS

32645-70-8

Other Names

• Deoxyadenosine-5'-monophosphate, (4TMS)-
• deoxyadenosine-5'-monophosphate, TMS

• 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	1.0377		Relay (... Calculated Property
ΔfG°	-114.64	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1372.83	kJ/mol	Relay (... Calculated Property
ΔvapH°	127.86	kJ/mol	Relay (... Calculated Property
IE	8.41	eV	Relay (... Calculated Property
log10WS	-4.41		Relay (... Calculated Property
logPoct/wat	6.408		Crippen Calculated Property
Pc	-261.05	kPa	Relay (... Calculated Property ⚠️
Inp	[3092.00; 3092.00]
Inp	3092.00		NIST
Inp	3092.00		NIST
Tboil	743.94	K	Relay (... Calculated Property
Tc	1033.31	K	Relay (... Calculated Property
Tfus	357.71	K	Relay (... Calculated Property
Vc	1.875	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate].

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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