(2S)-2-Amino-4-[(2S)-2-[(1R)-1-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-Oxo-Ethoxy]-3-Oxo-Propyl]Sulfanyl-Butanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C14H18N6O5S
IUPAC Name (2s)-2-amino-4-[(2s)-2-[(1r)-1-(6-aminopurine-1,3,7-triium-9-yl)-2-oxo-ethoxy]-3-oxo-propyl]sulfanyl-butanoic acid
Molecular Mass 382.395 g·mol−1
Heat of Formation -544.2 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 416.25 Å 3
Surface Area 317.75 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey NNBRROHYQRWXCF-LPEHRKFASA-O
QR Code Generate QR Code
Links
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N