(2R,3R,3Ar,9Ar)-2-(Hydroxymethyl)-3-Iodo-7-Methyl-2,3,3A,9A-Tetrahydro-6H-Furo[2',3':4,5][1,3]Oxazolo[3,2-A]Pyrimidin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C10H12IN2O4+ |
| IUPAC Name | (2r,4r,5r,6r)-4-(hydroxymethyl)-5-iodo-11-methyl-3,7-dioxa-9-aza-1-azoniatricyclo[6.4.0.02,6]dodeca-1(8),11-dien-10-one |
| Molecular Mass | 351.118 g·mol−1 |
| Heat of Formation | -456.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.40 ± 1.08 D |
| Volume | 288.71 Å 3 |
| Surface Area | 252.58 Å 2 |
| HOMO Energy | -9.62 ± 0.55 eV |
| LUMO Energy | 2.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DCTFKMFOWOUYPI-JAGXHNFQSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | I H C O N |