Chemical Properties of [13C]endo-GA4 methyl ester TMS ether

InChI

InChI=1S/C23H34O5Si/c1-13-11-22-12-14(13)7-8-15(22)23-10-9-16(28-29(4,5)6)21(2,20(25)27-23)18(23)17(22)19(24)26-3/h14-18H,1,7-12H2,2-6H3/t14?,15-,16+,17-,18-,21-,22+,23-/m0/s1

InChI Key

ATWIBZVZMYFKOI-DTOPKNIOSA-N

Formula

C23H34O5Si

SMILES

C=C1CC23CC1CCC2C12CCC(O[Si](C)(C)C)C(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

418.60

Other Names

• [14C1]GA4 methyl ester TMS ether

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.41		Crippen Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
Inp	[2478.00; 2521.00]
Inp	2521.00		NIST
Inp	2498.00		NIST
Inp	2498.00		NIST
Inp	2511.00		NIST
Inp	2481.00		NIST
Inp	Outlier 2478.00		NIST
Inp	2515.00		NIST
Inp	2517.00		NIST
Inp	2517.00		NIST
Inp	2517.00		NIST
Inp	2517.00		NIST
Inp	2518.00		NIST

Similar Compounds

Find more compounds similar to [13C]endo-GA4 methyl ester TMS ether.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.