(2R,3R,4S,5R)-2-[6-[(4-Azido-3-Iodo-Phenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
Property | Value |
---|---|
Formula | C17H19IN8O4 |
IUPAC Name | (2r,3r,4s,5r)-2-[6-[(4-azido-3-iodo-phenyl)methylamino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 526.288 g·mol−1 |
Heat of Formation | 35.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.35 ± 1.08 D |
Volume | 478.17 Å 3 |
Surface Area | 416.11 Å 2 |
HOMO Energy | -9.07 ± 0.55 eV |
LUMO Energy | 1.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | SAAVTIPQMKRDNS-LSCFUAHRSA-O |
QR Code | Generate QR Code |
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Elements | I H C O N |