1-[4-(3-Amino-6,7-Dimethyl-1-Oxo-1,4,5,6,6A,7-Hexahydroimidazo[1,5-F]Pteridin-8(9H)-Yl)Phenyl]-1-Deoxy-5-O-{5-O-[(1,3-Dicarboxypropoxy)(Hydroxy)Phosphoryl]Pentofuranosyl}Pentitol
Properties
| Property | Value |
|---|---|
| Formula | C31H46N6O16P+ |
| IUPAC Name | (2s)-2-[[(2r,3s,4r,5s)-5-[(2s,3s,4s)-5-[4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-2-ium-8-yl]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid |
| Molecular Mass | 789.701 g·mol−1 |
| Heat of Formation | -3149.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.52 ± 1.08 D |
| Volume | 869.23 Å 3 |
| Surface Area | 614.11 Å 2 |
| HOMO Energy | -8.03 ± 0.55 eV |
| LUMO Energy | -0.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GBMIGEWJAPFSQI-QHFPFIAOSA-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 |