4-Isothiocyanatophenyl 6-O-Phosphono-α-D-Mannopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C13H16NO9PS |
| IUPAC Name | [(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)tetrahydropyran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 393.306 g·mol−1 |
| Heat of Formation | -1674.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.51 ± 1.08 D |
| Volume | 408.38 Å 3 |
| Surface Area | 349.02 Å 2 |
| HOMO Energy | -8.63 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JFSIORWKDATPCG-NAWOPXAZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |