[[(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-[7,8-Dimethyl-5-(3-Methylbutanoyl)-2,4-Dioxo-1H-Benzo[G]Pteridine-5,10-Diium-10-Yl]-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C32H45N9O16P2++++ |
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-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-benzo[g]pteridine-5,10-diium-10-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate |
Molecular Mass | 873.698 g·mol−1 |
Heat of Formation | -3298.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.30 ± 1.08 D |
Volume | 925.49 Å 3 |
Surface Area | 580.87 Å 2 |
HOMO Energy | -8.03 ± 0.55 eV |
LUMO Energy | -1.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | XMTPQDXUNBTYAY-KQGUAMSLSA-S |
QR Code | Generate QR Code |
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Elements | P C H O N |