3-{[(2-Chloroethyl)(Nitroso)Carbamoyl]Amino}-3-Deoxy-β-D-Allopyranose
Properties
| Property | Value |
|---|---|
| Formula | C9H16ClN3O7 |
| IUPAC Name | 1-(2-chloroethyl)-1-nitroso-3-[(2s,3r,4r,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]urea |
| Molecular Mass | 313.692 g·mol−1 |
| Heat of Formation | -1119.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.18 ± 1.08 D |
| Volume | 331.31 Å 3 |
| Surface Area | 290.42 Å 2 |
| HOMO Energy | -9.88 ± 0.55 eV |
| LUMO Energy | -0.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZKTZGYZXXCOLPV-PVFLNQBWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |