Chemical Properties of [2H3]Dihydrozeatin nucleotide, permethylated

InChI

InChI=1S/C19H31N5O4/c1-13(9-25-3)6-7-23(2)18-17-19(21-11-20-18)24(12-22-17)16-8-14(27-5)15(28-16)10-26-4/h11-16H,6-10H2,1-5H3/t13?,14?,15-,16-/m1/s1

InChI Key

ZLSKKBGHDLNFFW-QDIHITRGSA-N

Formula

C19H31N5O4

SMILES

COCC(C)CCN(C)c1ncnc2c1ncn2C1CC(OC)C(COC)O1

Molecular Weight¹

393.48

Other Names

• Dihydrozeatin nucleotide, permethylated

• 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	0.8996		Relay (1.0) Calculated Property
ΔfG°	212.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-414.72	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	120.71	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	1.884		Crippen Calculated Property
McVol	302.170	ml/mol	McGowan Calculated Property
Pc	1338.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[2997.00; 2999.00]
Inp	2998.00		NIST
Inp	2998.00		NIST
Inp	2999.00		NIST
Inp	2997.00		NIST
Inp	2998.00		NIST
Tboil	706.56	K	Relay (1.0) Calculated Property
Tc	997.32	K	Relay (1.0) Calculated Property
Tfus	354.17	K	Relay (1.0) Calculated Property
Vc	1.140	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to [2H3]Dihydrozeatin nucleotide, permethylated.

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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