[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-5-[(10S)-7,8-Dimethyl-2,4-Dioxo-5-(3-Phenylpropanoyl)-6,9-Dihydro-1H-Benzo[G]Pteridine-4A,5A,6,7,8,9,9A,10A-Octaid-10-Yl]-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C36H45N9O16P2+++ |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[(10s)-7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-6,9-dihydro-1h-benzo[g]pteridine-4a,5a,6,7,8,9,9a,10a-octaid-10-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate |
| Molecular Mass | 921.741 g·mol−1 |
| Heat of Formation | -3006.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.10 ± 1.08 D |
| Volume | 975.88 Å 3 |
| Surface Area | 801.98 Å 2 |
| HOMO Energy | -8.06 ± 0.55 eV |
| LUMO Energy | -1.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SMGYYGDYNANJGQ-HOTBQXPVSA-S |
| QR Code | Generate QR Code |
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| Elements | P C H O N |