(1R)-7-({[(2S,3S)-2,3-Dihydroxy-2-Isopropylbutanoyl]Oxy}Methyl)-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-1-Yl (2E)-2-Methyl-2-Butenoate
Properties
Property | Value |
---|---|
Formula | C20H31NO6 |
IUPAC Name | [(4r,7r,8r)-7-[(e)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methyl-butanoate |
Molecular Mass | 381.463 g·mol−1 |
Heat of Formation | -1132.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.56 ± 1.08 D |
Volume | 475.33 Å 3 |
Surface Area | 361.27 Å 2 |
HOMO Energy | -9.02 ± 0.55 eV |
LUMO Energy | 3.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | MVWPTZQHBOWRTF-ARRDCFIYSA-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 |