Formula |
C10H12FN5O4 |
IUPAC Name |
2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one |
Molecular Mass |
285.232 g·mol−1 |
Heat of Formation |
-608.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.03 ± 1.08 D |
Volume |
297.58 Å 3 |
Surface Area |
267.53 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
2.49 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
- 2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
- 2-amino-9-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
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InChIKey |
UXUZARPLRQRNNX-AQZRFWRFSA-N |
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Links |
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Elements |
H
C
N
O
F
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