(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

Molecule SVG Image

Properties Simple | Detailed

Formula C16H25N7O5
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 395.414 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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N