Spicigerine

Compound Structure:

Synonyms:

12-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid

Compound ID:

NMPC-1493

PubChem ID:

Molecular Formula:

C18H35NO3

Canonical SMILES:

CC1C(CCC(N1)CCCCCCCCCCCC(=O)O)O

InChIKey:

WNTPYSGBPUIOAG-BBWFWOEESA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	313.5 g/mol
XLogP3-AA	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	313.26169398 g/mol
Monoisotopic Mass	313.26169398 g/mol
Topological Polar Surface Area	69.6Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source:PubChem

Source Species:

Prosopis africana

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