[[(2R,3S,5R)-5-[6-Amino-2-(4-Butylanilino)Purine-1,3,7-Triium-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H29N6O12P3 |
IUPAC Name | [[(2r,3s,5r)-5-[6-amino-2-(4-butylanilino)purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 638.399 g·mol−1 |
Heat of Formation | -2936.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.22 ± 1.08 D |
Volume | 655.41 Å 3 |
Surface Area | 489.03 Å 2 |
HOMO Energy | -8.58 ± 0.55 eV |
LUMO Energy | -1.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | MHDWSNHFBQZKPT-ARFHVFGLSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |