| Formula |
C15H13N5O4 |
| IUPAC Name |
4-[3-(6-oxo-3h-purin-9-yl)propanoylamino]benzoic acid |
| Molecular Mass |
327.295 g·mol−1 |
| Heat of Formation |
-354.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.56 ± 1.08 D |
| Volume |
366.58 Å 3 |
| Surface Area |
300.59 Å 2 |
| HOMO Energy |
-9.24 ± 0.55 eV |
| LUMO Energy |
-1.03 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-((3-(1,6-dihydro-6-oxo-9h-purin-9-yl)-1-oxopropyl)amino)benzoic acid
- 4-[3-(6-keto-3h-purin-9-yl)propanoylamino]benzoic acid
- 4-[3-(6-oxo-3h-purin-9-yl)propanoylamino]benzoic acid
- 4-[[1-oxo-3-(6-oxo-3h-purin-9-yl)propyl]amino]benzoic acid
- ait 082 acid
- benzoic acid, 4-((3-(1,6-dihydro-6-oxo-9h-purin-9-yl)-1-oxopropyl)amino)-
- n-(4-carboxyphenyl)-3-(6-oxohydropurin-9-yl)propanamide
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| CAS Number(s) |
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| InChIKey |
JMPOIZCOJJMTHI-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
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