Formula |
C20H28N5O13P3 |
IUPAC Name |
[[(2r,3s,5r)-5-[2-(4-butylanilino)-6-oxo-3h-purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate |
Molecular Mass |
639.383 g·mol−1 |
Heat of Formation |
177.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.64 ± 1.08 D |
Volume |
548.72 Å 3 |
Surface Area |
419.74 Å 2 |
HOMO Energy |
-9.42 ± 0.55 eV |
LUMO Energy |
-0.06 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JLKDXNDMDDENMB-PMPSAXMXSA-N |
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Elements |
P
C
O
N
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