Intermedine N-oxided

Compound Structure:

Synonyms:

[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate; INTERMEDINE N-OXIDE

Compound ID:

NMPC-1142

PubChem ID:

340066

Molecular Formula:

C15H25NO6

Canonical SMILES:

CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O

InChIKey:

DNAWGBOKUFFVMB-JXSDSIQZSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	315.36 g/mol
XLogP3-AA	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	315.16818752 g/mol
Monoisotopic Mass	315.16818752 g/mol
Topological Polar Surface Area	105Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Phaulopsis falcisepala

Download SDF