(2S)-2-Amino-4-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Ethyl-Amino]Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C16H27N7O5 |
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-ethyl-amino]butanoic acid |
Molecular Mass | 397.430 g·mol−1 |
Heat of Formation | -695.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.65 ± 1.08 D |
Volume | 454.95 Å 3 |
Surface Area | 371.16 Å 2 |
HOMO Energy | -9.03 ± 0.55 eV |
LUMO Energy | -0.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | KDPDBSWDZSPCPR-OPYVMVOTSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |