(2R,3R,4S,5R)-2-[6-[2-(4-Azido-3-Iodo-Phenyl)Ethylamino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
Property | Value |
---|---|
Formula | C18H21IN8O4 |
IUPAC Name | (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[2-[4-[(imino-λ5-azanylidene)amino]-3-iodo-phenyl]ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol |
Molecular Mass | 540.315 g·mol−1 |
Heat of Formation | -14.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.89 ± 1.08 D |
Volume | 500.67 Å 3 |
Surface Area | 364.07 Å 2 |
HOMO Energy | -8.59 ± 0.55 eV |
LUMO Energy | 2.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | AZPRQRINHRTRPW-SCFUHWHPSA-O |
QR Code | Generate QR Code |
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Elements | I H C O N |