| Formula |
C24H29N5O3 |
| IUPAC Name |
tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(p-tolyl)pyrrolo[2,3-d]pyrimidin-7-ium-5-id-6-yl]-2-cyano-propanoate |
| Molecular Mass |
435.519 g·mol−1 |
| Heat of Formation |
-311.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.76 ± 1.08 D |
| Volume |
542.65 Å 3 |
| Surface Area |
444.62 Å 2 |
| HOMO Energy |
-8.41 ± 0.55 eV |
| LUMO Energy |
-0.55 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YQNJEMHLWSEPFO-KRWDZBQOSA-N |
| QR Code |
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| Links |
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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