(2S,3S,4R,5R)-5-(6-Amino-2-Hex-1-Ynyl-Purine-1,3,7-Triium-9-Yl)-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide
Properties
Property | Value |
---|---|
Formula | C18H24N6O4 |
IUPAC Name | (2s,3s,4r,5r)-5-(6-amino-2-hex-1-ynyl-purine-1,3,7-triium-9-yl)-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide |
Molecular Mass | 388.421 g·mol−1 |
Heat of Formation | -319.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.64 ± 1.08 D |
Volume | 453.43 Å 3 |
Surface Area | 411.47 Å 2 |
HOMO Energy | -8.75 ± 0.55 eV |
LUMO Energy | 2.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | YYGWUZLAGGREJN-MOROJQBDSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |