(2S)-2-Amino-4-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-[2-(Hexylamino)Ethyl]Amino]Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C22H38N8O5 |
IUPAC Name | (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[2-(hexylamino)ethyl]amino]butanoic acid |
Molecular Mass | 494.588 g·mol−1 |
Heat of Formation | -766.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.37 ± 1.08 D |
Volume | 603.92 Å 3 |
Surface Area | 520.64 Å 2 |
HOMO Energy | -9.03 ± 0.55 eV |
LUMO Energy | -0.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | AZDUKLGWPXLJMU-UQEZQTQMSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |