[(1R,7As)-1-Hydroxy-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-7-Yl]Methyl (2S,3R)-2-Hydroxy-2-Isopropyl-3-Methoxybutanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H27NO5
IUPAC Name [(4s,7r,8s)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3r)-2-hydroxy-2-isopropyl-3-methoxy-butanoate
Molecular Mass 313.389 g·mol−1
Heat of Formation -939.3 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 383.97 Å 3
Surface Area 303.7 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-hydroxy-2-isopropyl-3-methoxy-butyric acid [(7r,8s)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • (2s,3r)-2-hydroxy-2-isopropyl-3-methoxybutanoic acid [(7r,8s)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • [(7r,8s)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1r)-1-methoxyethyl]-3-methyl-butanoate
  • [(7r,8s)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1r)-1-methoxyethyl]-3-methylbutanoate
  • [(7r,8s)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3r)-2-hydroxy-2-isopropyl-3-methoxy-butanoate
CAS Number(s)
  • 59532-50-2
InChIKey LMFKRLGHEKVMNT-UYHMYPTGSA-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