Chemical Properties of [13C]endo-GA20 methyl ester TMS ether

InChI

InChI=1S/C23H34O5Si/c1-14-12-21-13-22(14,28-29(4,5)6)11-8-15(21)23-10-7-9-20(2,19(25)27-23)17(23)16(21)18(24)26-3/h15-17H,1,7-13H2,2-6H3/t15-,16-,17-,20-,21+,22+,23-/m0/s1

InChI Key

ZXVZVLFTWHDLQN-HHBZDXFNSA-N

Formula

C23H34O5Si

SMILES

C=C1CC23CC1(O[Si](C)(C)C)CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

418.60

Other Names

• [14C] GA20 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	-2.66		Crippen Calculated Property
logPoct/wat	4.228		Crippen Calculated Property
Inp	[2446.00; 2492.00]
Inp	2473.00		NIST
Inp	2478.00		NIST
Inp	2492.00		NIST
Inp	Outlier 2446.00		NIST
Inp	Outlier 2446.00		NIST
Inp	2478.00		NIST
Inp	2491.00		NIST
Inp	2492.00		NIST
Inp	2485.00		NIST
Inp	2486.00		NIST
Inp	2487.00		NIST
Inp	2478.00		NIST
Inp	2487.00		NIST

Similar Compounds

Find more compounds similar to [13C]endo-GA20 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.