Chemical Properties of Hydroxylupanine (CAS 15358-48-2)

InChI

InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2

InChI Key

JVYKIBAJVKEZSQ-UHFFFAOYSA-N

Formula

C15H24N2O2

SMILES

O=C1CCCC2C3CC(CN12)C1CC(O)CCN1C3

Molecular Weight¹

264.36

CAS

15358-48-2

Other Names

• 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-9-hydroxy-, [7S-(7«alpha»,7a«beta»,9«beta»,14«alpha»,14a«alpha»)]-
• Lupanine, 13«alpha»-hydroxy-
• Alkaloid C 2, from Cadia purpurea
• Jamaidine
• Luparine, hydroxy-
• Oxylupanine
• 13«alpha»-Hydroxylupanine
• 13-Hydroxylupanin
• 13-Hydroxylupanine
• 13-Oxylupanine
• d-Hydroxylupanine
• Lupanine,13-hydroxy
• (+)-13-Hydroxylupanine
• 7,14-Methano-2H,11H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-11-one, dodecahydro-2-hydroxy-, (2S-(2«alpha»,7«beta»,7a«beta»,14«beta»,14a«alpha»))-
• Hydroxylupanin
• Lupanine, hydroxy-
• NSC 70827

• 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	-0.77		Relay (1.0) Calculated Property
logPoct/wat	0.842		Crippen Calculated Property
McVol	206.170	ml/mol	McGowan Calculated Property
Inp	[2395.00; 2410.00]
Inp	2410.00		NIST
Inp	2400.00		NIST
Inp	2400.00		NIST
Inp	2400.00		NIST
Inp	2395.00		NIST
Inp	2410.00		NIST
Inp	2408.00		NIST
Inp	2410.00		NIST
Inp	2402.00		NIST
Inp	2402.00		NIST
Inp	2400.00		NIST
Inp	2410.00		NIST
Inp	2410.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Hydroxylupanine.

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

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.
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