1-(4-{[1-(2-Amino-5-Formyl-7-Methyl-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl)Ethyl]Amino}Phenyl)-1-Deoxy-5-O-{5-O-[(1,3-Dicarboxypropoxy)(Hydroxy)Phosphoryl]Pentofuranosyl}Pentitol
Properties
| Property | Value |
|---|---|
| Formula | C31H45N6O17P |
| IUPAC Name | (2r)-2-[[(2r,3s,4r,5s)-5-[(2r,3s,4s)-5-[4-[[(1r)-1-[(6s,7s)-2-amino-5-formyl-7-methyl-4-oxo-7,8-dihydro-6h-pteridin-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 | 804.693 g·mol−1 |
| Heat of Formation | -3218.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.54 ± 1.08 D |
| Volume | 889.15 Å 3 |
| Surface Area | 738.02 Å 2 |
| HOMO Energy | -8.01 ± 0.55 eV |
| LUMO Energy | -0.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RMPHWTMYCVTPKB-KXCCJVBOSA-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 |