(3S,4S,4As,5S,6S)-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 | (3s,4s,4as,5s,6s)-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 | -1010.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.54 ± 1.08 D |
| Volume | 318.32 Å 3 |
| Surface Area | 267.3 Å 2 |
| HOMO Energy | -9.82 ± 0.55 eV |
| LUMO Energy | 2.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JRSVJUAXNOFGEL-LFRLGQHFSA-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 |