[(4S,7R,8R)-7-Hydroxy-4-Oxido-5,6,7,8-Tetrahydro-3H-Pyrrolizin-4-Ium-1-Yl]Methyl (2R,3R)-2-Hydroxy-2-Isopropyl-3-Methoxy-Butanoate
Properties
Property | Value |
---|---|
Formula | C16H28NO6+ |
IUPAC Name | [(4s,7r,8r)-4,7-dihydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-4-ium-1-yl]methyl (2r,3r)-2-hydroxy-2-isopropyl-3-methoxy-butanoate |
Molecular Mass | 330.397 g·mol−1 |
Heat of Formation | -904.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.60 ± 1.08 D |
Volume | 410.38 Å 3 |
Surface Area | 330.17 Å 2 |
HOMO Energy | -8.89 ± 0.55 eV |
LUMO Energy | -0.01 ± eV |
Point Group Symmetry | C1 |
InChIKey | DGIRBLHVRQGKOR-TXNBRISYSA-N |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |