(3R,4R,4As,5R,6R)-4-Amino-3-(Dichloromethyl)-5,6,8-Trihydroxy-3-Methyl-4A,5,6,7-Tetrahydro-4H-Isochromen-1-One
Properties
| Property | Value |
|---|---|
| Formula | C11H15Cl2NO5 |
| IUPAC Name | (3r,4r,4as,5r,6r)-4-amino-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-4a,5,6,7-tetrahydro-4h-isochromen-1-one |
| Molecular Mass | 312.147 g·mol−1 |
| Heat of Formation | -1006.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.60 ± 1.08 D |
| Volume | 319.15 Å 3 |
| Surface Area | 267.15 Å 2 |
| HOMO Energy | -9.85 ± 0.55 eV |
| LUMO Energy | 2.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JRSVJUAXNOFGEL-KIEKWIABSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |