Chemical Properties of Spartioidine (CAS 520-59-2)

InChI

InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15?,18+/m1/s1

InChI Key

FCEVNJIUIMLVML-PBQSOSRTSA-N

Formula

C18H23NO5

SMILES

C=C1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23

Molecular Weight¹

333.38

CAS

520-59-2

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.50		Crippen Calculated Property
logPoct/wat	1.113		Crippen Calculated Property
McVol	249.730	ml/mol	McGowan Calculated Property
Inp	[2343.00; 2400.00]
Inp	2359.00		NIST
Inp	2343.00		NIST
Inp	2345.00		NIST
Inp	Outlier 2400.00		NIST
Inp	2343.00		NIST
Inp	2359.00		NIST

Similar Compounds

Find more compounds similar to Spartioidine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.