Formula |
C27H46N7O18P3S |
IUPAC Name |
s-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-hydroxy-4-methyl-pentanethioate |
Molecular Mass |
881.677 g·mol−1 |
Heat of Formation |
-1059.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.49 ± 1.08 D |
Volume |
804.91 Å 3 |
Surface Area |
574.96 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
-2.90 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CFNPCSNXESBNGR-LYALRYAQSA-N |
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Elements |
P
C
S
O
N
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