Chemical Properties of Hypoxanthine deoxyriboside, TMS

InChI

InChI=1S/C19H36N4O4Si3/c1-28(2,3)24-11-15-14(26-29(4,5)6)10-16(25-15)23-13-22-18-17(23)19(21-12-20-18)27-30(7,8)9/h12-16H,10-11H2,1-9H3/t14-,15+,16+/m1/s1

InChI Key

YUSRWAYRSRNVPX-PMPSAXMXSA-N

Formula

C19H36N4O4Si3

SMILES

C[Si](C)(C)OCC1OC(n2cnc3ncnc(O[Si](C)(C)C)c32)CC1O[Si](C)(C)C

Molecular Weight¹

468.77

• 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	0.8110		Relay (... Calculated Property
ΔfG°	80.49	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-814.73	kJ/mol	Relay (... Calculated Property
ΔvapH°	98.23	kJ/mol	Relay (... Calculated Property
IE	8.80	eV	Relay (... Calculated Property
log10WS	-3.37		Relay (... Calculated Property
logPoct/wat	4.399		Crippen Calculated Property
Pc	398.48	kPa	Relay (... Calculated Property ⚠️
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	674.85	K	Relay (... Calculated Property
Tc	962.52	K	Relay (... Calculated Property
Tfus	346.58	K	Relay (... Calculated Property
Vc	1.456	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hypoxanthine deoxyriboside, 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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