Chemical Properties of MO-cytidine, TMS

InChI

InChI=1S/C22H48N4O5Si4/c1-27-24-22-23-18(25-32(2,3)4)14-15-26(22)21-20(31-35(11,12)13)19(30-34(8,9)10)17(29-21)16-28-33(5,6)7/h14-15,17,19-21H,16H2,1-13H3,(H,23,24,25)

InChI Key

DZGJWDIYRRAKJB-UHFFFAOYSA-N

Formula

C22H48N4O5Si4

SMILES

CON=c1nc(N[Si](C)(C)C)ccn1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C

Molecular Weight¹

560.98

• 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.
• 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	0.9483		Relay (1.0) Calculated Property
ΔfG°	62.20	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1063.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	110.87	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	4.781		Crippen Calculated Property
Inp	[2491.00; 2491.00]
Inp	2491.00		NIST
Inp	2491.00		NIST
Tboil	675.23	K	Relay (1.0) Calculated Property
Tc	926.01	K	Relay (1.0) Calculated Property
Tfus	330.92	K	Relay (1.0) Calculated Property
Vc	1.731	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to MO-cytidine, 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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