[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-2,3,4-Trihydroxy-5-[(4As)-4A-[(1S)-3-Imino-1-Phenylbutyl]-7,8-Dimethyl-2,4-Dioxo-3,4,4A,5-Tetrahydrobenzo[G ]Pteridin-10(2H)-Yl]Pentyl Dihydrogen Diphosphate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C37H46N10O15P2 |
| IUPAC Name | [[(2r,3s,4s)-5-[(4as)-4a-[(1s)-3-imino-1-phenyl-butyl]-7,8-dimethyl-2,4-dioxo-5h-benzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 932.767 g·mol−1 |
| Heat of Formation | -2832.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.56 ± 1.08 D |
| Volume | 1013.56 Å 3 |
| Surface Area | 758.06 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -1.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OFNGKAHUSCJIPW-MUDFCMHFSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |