Formula |
C14H14N4O5S |
IUPAC Name |
4-(2,6-dioxo-1-propyl-3,7-dihydropurine-4,5,8,9-tetraid-8-yl)benzenesulfonic acid |
Molecular Mass |
350.350 g·mol−1 |
Heat of Formation |
-656.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.70 ± 1.08 D |
Volume |
368.81 Å 3 |
Surface Area |
338.44 Å 2 |
HOMO Energy |
-9.47 ± 0.55 eV |
LUMO Energy |
-1.97 ± eV |
Point Group Symmetry |
C1
|
Synonyms
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- 4-(2,6-diketo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
- 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
- psb 1115
- tocris-2009
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InChIKey |
UYDRRQPGDSIMNU-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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