Chemical Properties of 3'-acetylsupinine

InChI

InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14-,15-,17?/m0/s1

InChI Key

YFQPDKABPCMKCA-PEQUQEEVSA-N

Formula

C17H27NO6

SMILES

CC(=O)OC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)C

Molecular Weight¹

341.40

• 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	-1.61		Crippen Calculated Property
logPoct/wat	0.244		Crippen Calculated Property
McVol	260.970	ml/mol	McGowan Calculated Property
Inp	[2080.00; 2080.00]
Inp	2080.00		NIST
Inp	2080.00		NIST

Similar Compounds

Find more compounds similar to 3'-acetylsupinine.

Sources

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

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