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

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Properties Simple | Detailed

Formula C16H27NO5
IUPAC Name [(4r,7s,8r)-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 -931.6 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 388.4 Å 3
Surface Area 310.42 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-hydroxy-2-isopropyl-3-methoxy-butyric acid [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • (2s,3r)-2-hydroxy-2-isopropyl-3-methoxybutanoic acid [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • 9-heliotrylheliotridine
  • [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1r)-1-methoxyethyl]-3-methyl-butanoate
  • [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1r)-1-methoxyethyl]-3-methylbutanoate
  • [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3r)-2-hydroxy-2-isopropyl-3-methoxy-butanoate
CAS Number(s)
  • 303-33-3
InChIKey LMFKRLGHEKVMNT-UJDVCPFMSA-N
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