Chemical Properties of Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)- (CAS 54623-28-8)

InChI

InChI=1S/C20H39N5O3SSi3/c1-29-11-14-16(27-31(5,6)7)17(28-32(8,9)10)20(26-14)25-13-23-15-18(24-30(2,3)4)21-12-22-19(15)25/h12-14,16-17,20H,11H2,1-10H3,(H,21,22,24)

InChI Key

BAKWXPKBSGCDPL-UHFFFAOYSA-N

Formula

C20H39N5O3SSi3

SMILES

CSCC1OC(n2cnc3c(N[Si](C)(C)C)ncnc32)C(O[Si](C)(C)C)C1O[Si](C)(C)C

Molecular Weight¹

513.88

CAS

54623-28-8

Other Names

• 5'-S-Methyl-5'-thioadenosine, N-trimethylsilyl-, bis(trimethylsilyl) ether

• 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	0.8406		Relay (1.0) Calculated Property
ΔfG°	198.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-636.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	4.774		Crippen Calculated Property
Pc	350.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[2788.00; 2821.00]
Inp	2788.00		NIST
Inp	2821.00		NIST
Inp	2821.00		NIST
Inp	2788.00		NIST
Tboil	710.32	K	Relay (1.0) Calculated Property
Tc	1016.14	K	Relay (1.0) Calculated Property
Tfus	364.43	K	Relay (1.0) Calculated Property
Vc	1.510	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-.

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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