({2-Amino-9-[(4As,7R,7Ar)-2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-6-Oxo-6,9-Dihydro-3H-Purin-8-Yl}Sulfanyl)Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H14N5O9PS |
| IUPAC Name | 2-[[9-[(2r,4as,6r,7r,7ar)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-6-oxo-3h-purin-8-yl]sulfanyl]acetic acid |
| Molecular Mass | 435.306 g·mol−1 |
| Heat of Formation | 219.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.07 ± 1.08 D |
| Volume | 385.0 Å 3 |
| Surface Area | 350.24 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -3.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DAAIBHWHBADGSC-FTCMTTLMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P S C O N |