Chemical Properties of Ginkgolide C, TMS ether

InChI

InChI=1S/C29H48O12Si3/c1-14-20(31)35-16-17(39-42(5,6)7)27-22(33)36-18-19(40-43(8,9)10)29(34,24(2,3)4)25(15(30)21(32)37-23(25)38-27)28(18,27)26(14,16)41-44(11,12)13/h14-19,23,30,34H,1-13H3/t14-,15+,16+,17+,18-,19-,23+,25-,26-,27-,28-,29-/m1/s1

InChI Key

XARJMBIIZSDZBG-OKUDHBLJSA-N

Formula

C29H48O12Si3

SMILES

CC1C(=O)OC2C(O[Si](C)(C)C)C34OC5OC(=O)C(O)C56C(O)(C(C)(C)C)C(O[Si](C)(C)C)C(OC3=O)C46C12O[Si](C)(C)C

Molecular Weight¹

672.94

• 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	0.9824		Relay (... Calculated Property
ΔfG°	-1277.50	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-2293.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	141.07	kJ/mol	Relay (... Calculated Property
IE	9.35	eV	Relay (... Calculated Property
log10WS	-3.63		Relay (... Calculated Property
logPoct/wat	2.294		Crippen Calculated Property
Pc	-401.95	kPa	Relay (... Calculated Property ⚠️
Inp	[3241.90; 3285.00]
Inp	3241.90		NIST
Inp	3263.40		NIST
Inp	3285.00		NIST
Inp	3241.90		NIST
Tboil	704.20	K	Relay (... Calculated Property
Tc	1107.45	K	Relay (... Calculated Property
Tfus	413.40	K	Relay (... Calculated Property
Vc	1.953	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ginkgolide C, TMS 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
• NIST Webbook

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