3-{2-[4-Azido-3-(~125~I)Iodophenyl]Ethyl}-8-Cyclopentyl-1-Propyl-3,7-Dihydro-1H-Purine-2,6-Dione
Properties
Property | Value |
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Formula | C21H24IN7O2 |
IUPAC Name | 3-[2-(4-azido-3-iodo-phenyl)ethyl]-8-cyclopentyl-1-propyl-7h-purin-9-ium-5-ide-2,6-dione |
Molecular Mass | 531.366 g·mol−1 |
Heat of Formation | 129.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.04 ± 1.08 D |
Volume | 531.13 Å 3 |
Surface Area | 389.31 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -0.95 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | SNXXCTYQLMITSG-ONBQKKEBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | I H C O N |