2-Amino-9-[(2R,3R,4S,5R)-2-(2-Fluoroethyl)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-3,9-Diium-6-One
Properties
Property | Value |
---|---|
Formula | C12H16FN5O5 |
IUPAC Name | 2-amino-9-[(2r,3r,4s,5r)-2-(2-fluoroethyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one |
Molecular Mass | 329.284 g·mol−1 |
Heat of Formation | -841.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.96 ± 1.08 D |
Volume | 351.46 Å 3 |
Surface Area | 293.42 Å 2 |
HOMO Energy | -9.06 ± 0.55 eV |
LUMO Energy | -0.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | GTACGCCYFNHQQD-JTFADIMSSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |