1-[4-({(1R)-1-[(6S,7S)-2-Amino-7-Methyl-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl]Ethyl}Amino)Phenyl]-1-Deoxy-5-O-(5-O-{[(1S)-1,3-Dicarboxypropoxy](Hydroxy)Phosphoryl}-α-D-Ribofuranosyl)-D-Ribitol
Properties
| Property | Value |
|---|---|
| Formula | C30H45N6O16P |
| IUPAC Name | (2r)-2-[[(2r,3s,4r,5s)-5-[(2r,3r,4s)-5-[4-[[(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydropteridin-1-ium-4a-ylium-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid |
| Molecular Mass | 776.683 g·mol−1 |
| Heat of Formation | -3114.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.11 ± 1.08 D |
| Volume | 861.56 Å 3 |
| Surface Area | 684.63 Å 2 |
| HOMO Energy | -7.95 ± 0.55 eV |
| LUMO Energy | -0.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SCBIBGUJSMHIAI-FQVOATFZSA-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 |