(2S)-2-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Butanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H17N5O8 |
| IUPAC Name | (2s)-2-[[9-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid |
| Molecular Mass | 383.313 g·mol−1 |
| Heat of Formation | -1234.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.83 ± 1.08 D |
| Volume | 403.59 Å 3 |
| Surface Area | 352.5 Å 2 |
| HOMO Energy | -9.25 ± 0.55 eV |
| LUMO Energy | -1.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZRUQFFTVKPNRBV-MDBUBQOGSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |