(1S,2R,5R,8R,8Ar)-5-{2-[4-(2-Methyl-2-Propanyl)Phenyl]Ethyl}Octahydro-1,2,8-Indolizinetriol
Properties
Property | Value |
---|---|
Formula | C20H31NO3 |
IUPAC Name | (1s,2r,4s,5r,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol |
Molecular Mass | 333.465 g·mol−1 |
Heat of Formation | -625.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.63 ± 1.08 D |
Volume | 433.5 Å 3 |
Surface Area | 369.85 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | QXPSLCODOUKVQZ-FVVUREQNSA-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 |