Chemical Properties of 7-angeloyl-9-(2,3-dihydroxy propanoyl) retronecine

InChI

InChI=1S/C16H25NO6/c1-3-10(2)15(20)23-13-5-7-17-6-4-11(14(13)17)9-22-16(21)12(19)8-18/h3,11-14,18-19H,4-9H2,1-2H3/b10-3-/t11-,12?,13-,14?/m1/s1

InChI Key

UCZOPSUTRUWZNY-NQQHZPIASA-N

Formula

C16H25NO6

SMILES

C/C=C(/C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)C(O)CO)C12

Molecular Weight¹

327.38

• 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
logPoct/wat	-0.145		Crippen Calculated Property
McVol	246.880	ml/mol	McGowan Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST

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Similar Compounds

Find more compounds similar to 7-angeloyl-9-(2,3-dihydroxy propanoyl) retronecine.

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
• McGowan Method
• NIST Webbook

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