5-(Methylamino)-2-({(2R,3R,8S,9R,11R)-3,9,11-Trimethyl-8-[(2S)-1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-1,3-Benzoxazole-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H37N3O6 |
| IUPAC Name | 5-(methylamino)-2-[[(2s,3r,5r,6s,8s,9s)-3,5,9-trimethyl-2-[(1r)-1-methyl-2-oxo-2-(1h-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid |
| Molecular Mass | 523.621 g·mol−1 |
| Heat of Formation | -918.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.21 ± 1.08 D |
| Volume | 629.21 Å 3 |
| Surface Area | 463.52 Å 2 |
| HOMO Energy | -8.46 ± 0.55 eV |
| LUMO Energy | -0.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HIYAVKIYRIFSCZ-UGUVHLCNSA-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 |