(2S)-2-[[4-[2-(2-Amino-4-Oxo-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-5-Yl)Ethyl]Benzoyl]Amino]-3-Methyl-Butanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H24N5O4
IUPAC Name (2s)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-5-yl)ethyl]benzoyl]amino]-3-methyl-butanoic acid
Molecular Mass 398.436 g·mol−1
Heat of Formation -569.1 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 465.2 Å 3
Surface Area 410.24 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey QMCVRSBTKGJTKC-YJOXVTEBSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N