Chemical Properties of Cytidine, N-methyl-, 2',3',5'-trimethyl ether

InChI

InChI=1S/C13H21N3O5/c1-14-9-5-6-16(13(17)15-9)12-11(20-4)10(19-3)8(21-12)7-18-2/h5-6,8,10-12H,7H2,1-4H3,(H,14,15,17)

InChI Key

TXQNLIBYYRUTPK-UHFFFAOYSA-N

Formula

C13H21N3O5

SMILES

CNc1ccn(C2OC(COC)C(OC)C2OC)c(=O)n1

Molecular Weight¹

299.32

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	0.6976		Relay (... Calculated Property
ΔfG°	-146.47	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-676.92	kJ/mol	Relay (... Calculated Property
ΔvapH°	122.09	kJ/mol	Relay (... Calculated Property
IE	8.16	eV	Relay (... Calculated Property
log10WS	-1.54		Relay (... Calculated Property
logPoct/wat	-0.141		Crippen Calculated Property
McVol	218.700	ml/mol	McGowan Calculated Property
Pc	2083.85	kPa	Relay (... Calculated Property ⚠️
Inp	[2275.80; 2275.80]
Inp	2275.80		NIST
Inp	2275.80		NIST
Tboil	652.37	K	Relay (... Calculated Property
Tc	888.59	K	Relay (... Calculated Property
Tfus	367.33	K	Relay (... Calculated Property
Vc	0.785	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Cytidine, N-methyl-, 2',3',5'-trimethyl ether.

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
• McGowan Method
• NIST Webbook

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