[(4S,7S,8R)-7-Hydroxy-4-Oxido-5,6,7,8-Tetrahydro-3H-Pyrrolizin-4-Ium-1-Yl]Methyl (2S,3R)-2-Hydroxy-2-Isopropyl-3-Methoxy-Butanoate

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Properties Simple | Detailed

Formula C16H28NO6+
IUPAC Name [(4s,7s,8r)-4,7-dihydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-4-ium-1-yl]methyl (2s,3r)-2-hydroxy-2-isopropyl-3-methoxy-butanoate
Molecular Mass 330.397 g·mol−1
Heat of Formation -938.1 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 407.82 Å 3
Surface Area 313.08 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
InChIKey DGIRBLHVRQGKOR-UQTKTIGESA-N
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