[(2R,3S,4R,5R)-5-(2-Amino-8-Anilino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5S)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C25H32N9O11P++ |
IUPAC Name | [(2r,3s,4r,5r)-5-(2-amino-8-anilino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5s)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
Molecular Mass | 665.549 g·mol−1 |
Heat of Formation | -1786.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.21 ± 1.08 D |
Volume | 695.52 Å 3 |
Surface Area | 552.67 Å 2 |
HOMO Energy | -8.25 ± 0.55 eV |
LUMO Energy | -0.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | TZQFZYTXHFHQHB-VXSGUQNHSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |