(3S,4S,5R)-3-[(E)-({1-[(3S,4S,5R)-4,5-Dimethyl-2-Oxotetrahydro-3-Furanyl]-5-(Hydroxymethyl)-1H-Pyrrol-2-Yl}Methylene)Amino]-4,5-Dimethyldihydro-2(3H)-Furanone
Properties
| Property | Value |
|---|---|
| Formula | C18H24N2O5 |
| IUPAC Name | (3s,4s,5r)-3-[(e)-[1-[(3s,4s,5r)-4,5-dimethyl-2-oxo-tetrahydrofuran-3-yl]-5-(hydroxymethyl)pyrrol-1-ium-2-ylium-2-yl]methyleneamino]-4,5-dimethyl-tetrahydrofuran-2-one |
| Molecular Mass | 348.394 g·mol−1 |
| Heat of Formation | -760.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.74 ± 1.08 D |
| Volume | 420.66 Å 3 |
| Surface Area | 339.05 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -0.25 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RYQKWJPWKLPCHJ-NNWVDDQKSA-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 |