Chemical Properties of 5-Hydroxymethylcytosine, TMS

InChI

InChI=1S/C14H31N3O2Si3/c1-20(2,3)17-13-12(11-18-21(4,5)6)10-15-14(16-13)19-22(7,8)9/h10H,11H2,1-9H3,(H,15,16,17)

InChI Key

OBAAESGOHWDQMG-UHFFFAOYSA-N

Formula

C14H31N3O2Si3

SMILES

C[Si](C)(C)Nc1nc(O[Si](C)(C)C)ncc1CO[Si](C)(C)C

Molecular Weight¹

357.67

Other Names

• Pyrimidine, 4-amino-2-hydroxy-5-hydroxymethyl, 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	0.7025		Relay (... Calculated Property
ΔfG°	124.87	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-662.02	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.39	kJ/mol	Relay (... Calculated Property
IE	8.89	eV	Relay (... Calculated Property
log10WS	-2.85		Relay (... Calculated Property
logPoct/wat	4.289		Crippen Calculated Property
Pc	897.77	kPa	Relay (... Calculated Property ⚠️
Inp	[1750.00; 1752.00]
Inp	1750.00		NIST
Inp	1752.00		NIST
Tboil	559.29	K	Relay (... Calculated Property
Tc	807.07	K	Relay (... Calculated Property
Tfus	344.28	K	Relay (... Calculated Property
Vc	1.161	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxymethylcytosine, 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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