[(3As,4R,6Z,9S)-2-Amino-5,10,10-Trihydroxy-6-Imino-9-(Sulfooxy)-3A,4,5,6,9,10-Hexahydro-3H,8H-Pyrrolo[1,2-C]Purin-4-Yl]Methyl Carbamate
Properties
| Property | Value |
|---|---|
| Formula | C10H17N7O9S |
| IUPAC Name | [(4r,9s,10as)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate |
| Molecular Mass | 411.348 g·mol−1 |
| Heat of Formation | -1281.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.63 ± 1.08 D |
| Volume | 405.68 Å 3 |
| Surface Area | 328.57 Å 2 |
| HOMO Energy | -9.56 ± 0.55 eV |
| LUMO Energy | -0.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CETRDCWBMBILAL-MQBYIJFVSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |