1-[3-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Isopropyl-Amino]Propyl]-3-(P-Tolyl)Urea
Properties
Property | Value |
---|---|
Formula | C24H36N8O4 |
IUPAC Name | 1-[3-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-isopropyl-amino]propyl]-3-(p-tolyl)urea |
Molecular Mass | 500.594 g·mol−1 |
Heat of Formation | -464.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.54 ± 1.08 D |
Volume | 600.03 Å 3 |
Surface Area | 504.17 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | 2.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | DEJOKNXDSHZDOY-ZDXOVATRSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |