Megalanthonine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H27NO5
IUPAC Name [(1s,4s,7r,8r)-7-hydroxy-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methyl-butanoate
Molecular Mass 301.379 g·mol−1
Heat of Formation -1048.1 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 378.61 Å 3
Surface Area 313.43 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(1s,7r,8r)-7-hydroxypyrrolizidin-1-yl]methyl ester
  • (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(1s,7r,8r)-7-hydroxy-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl ester
  • [(1s,7r,8r)-7-hydroxy-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
  • [(1s,7r,8r)-7-hydroxy-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
InChIKey NMPPLGMVCCNRTJ-BGPZULBFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N