2-[[(2R,3S,4R,5R)-5-(6-Amino-8-Methyl-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Amino]Acetamide
Properties
Property | Value |
---|---|
Formula | C14H21N7O4 |
IUPAC Name | 2-[[(2r,3s,4r,5r)-5-(6-amino-8-methyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]acetamide |
Molecular Mass | 351.361 g·mol−1 |
Heat of Formation | -503.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.99 ± 1.08 D |
Volume | 398.69 Å 3 |
Surface Area | 335.94 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | -0.58 ± eV |
Point Group Symmetry | C1 |
InChIKey | FYTZGVPORZZRHD-FRJWGUMJSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |