[[(2R,3S,4S)-5-[(4As)-7,8-Dimethyl-2,4-Dioxo-4A,5-Dihydrobenzo[G]Pteridin-1-Ium-10-Yl]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C27H37N9O15P2 |
IUPAC Name | [[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-1-ium-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 789.582 g·mol−1 |
Heat of Formation | -2800.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.40 ± 1.08 D |
Volume | 815.71 Å 3 |
Surface Area | 690.04 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | -1.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | PUYFSHYJOPDCNK-LDVRFEIFSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |