[(2R,3R,4R,5R)-2-[[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxymethyl]-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-4-Ethyl-4-Hydroxy-Tetrahydrofuran-3-Yl]Oxyphosphinous Acid
Properties
Property | Value |
---|---|
Formula | C21H32N8O13P2++ |
IUPAC Name | [(2r,3r,4r,5r)-2-[[(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-ethyl-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphinous acid |
Molecular Mass | 666.472 g·mol−1 |
Heat of Formation | -2425.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.45 ± 1.08 D |
Volume | 686.99 Å 3 |
Surface Area | 517.55 Å 2 |
HOMO Energy | -9.42 ± 0.55 eV |
LUMO Energy | -1.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | YXLLDZBPMYDELZ-AFFFXHIZSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |