[(2R,3R,4R,5S)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-5-(Ethylcarbamoyl)-4-Nitrooxy-Tetrahydrofuran-3-Yl] Nitrate
Properties
Property | Value |
---|---|
Formula | C12H14N8O8 |
IUPAC Name | [(2r,3r,4r,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-(ethylcarbamoyl)-4-nitrooxy-tetrahydrofuran-3-yl] nitrate |
Molecular Mass | 398.288 g·mol−1 |
Heat of Formation | -235.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.31 ± 1.08 D |
Volume | 410.05 Å 3 |
Surface Area | 357.52 Å 2 |
HOMO Energy | -9.08 ± 0.55 eV |
LUMO Energy | -1.46 ± eV |
Point Group Symmetry | C1 |
InChIKey | NEEUAAYXRNKRFW-BSFVXNEUSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |