Chemical Properties of adenosine-2'-monophosphate, TMS

InChI

InChI=1S/C25H54N5O7PSi5/c1-39(2,3)29-23-20-24(27-17-26-23)30(18-28-20)25-22(34-38(31,36-42(10,11)12)37-43(13,14)15)21(35-41(7,8)9)19(33-25)16-32-40(4,5)6/h17-19,21-22,25H,16H2,1-15H3,(H,26,27,29)

InChI Key

CMYBPUAOETZXMJ-UHFFFAOYSA-N

Formula

C25H54N5O7PSi5

SMILES

C[Si](C)(C)Nc1ncnc2c1ncn2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

708.13

• 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	1.1070		Relay (1.0) Calculated Property
ΔfG°	-213.53	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1654.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	128.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	7.238		Crippen Calculated Property
Pc	-662.87	kPa	Relay (1.0-beta) Calculated Property
Inp	[3006.00; 3006.00]
Inp	3006.00		NIST
Inp	3006.00		NIST
Tboil	760.16	K	Relay (1.0) Calculated Property
Tc	1049.80	K	Relay (1.0) Calculated Property
Tfus	343.39	K	Relay (1.0) Calculated Property
Vc	2.157	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to adenosine-2'-monophosphate, TMS.

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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