2-Chloro-3-(Hexopyranosylthio)Propanenitrile
Properties
| Property | Value |
|---|---|
| Formula | C9H14ClNO5S |
| IUPAC Name | (2s)-2-chloro-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-propanenitrile |
| Molecular Mass | 283.729 g·mol−1 |
| Heat of Formation | -834.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.09 ± 1.08 D |
| Volume | 307.7 Å 3 |
| Surface Area | 276.15 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LTLOIXLOENLTQJ-ZKMHSNTISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |