Formula |
C21H18N8O8S3 |
IUPAC Name |
[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carbonyl]sulfamate |
Molecular Mass |
606.611 g·mol−1 |
Heat of Formation |
1140.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.74 ± 1.08 D |
Volume |
587.11 Å 3 |
Surface Area |
489.49 Å 2 |
HOMO Energy |
-9.52 ± 0.55 eV |
LUMO Energy |
-2.97 ± eV |
Point Group Symmetry |
C1
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InChIKey |
LJLYTUYNVSHXQB-SOONXTGKSA-N |
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Elements |
C
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O
N
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