(2S,3S,4R,5R)-3-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H23N7O6
IUPAC Name (2s,3s,4r,5r)-3-[[(2s)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid
Molecular Mass 457.440 g·mol−1
Heat of Formation -716.2 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 512.58 Å 3
Surface Area 402.01 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey IKSIUCZHTXIJQI-JDZCFQESSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N