2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-(4-Phenylanilino)-3H-Purine-1,7-Diium-4-Id-6-One
Properties
Property | Value |
---|---|
Formula | C22H24N6O5+ |
IUPAC Name | 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(4-phenylanilino)-3h-purine-1,7-diium-4-id-6-one |
Molecular Mass | 452.463 g·mol−1 |
Heat of Formation | -391.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.50 ± 1.08 D |
Volume | 495.01 Å 3 |
Surface Area | 422.73 Å 2 |
HOMO Energy | -8.21 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | GSWMZIVFJWVWFL-WVSUBDOOSA-P |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |