(2S)-2-Amino-4-[[(2S,3S,4S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C14H20N6O5S
IUPAC Name (2s)-2-amino-4-[[(2s,3s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
Molecular Mass 384.411 g·mol−1
Heat of Formation -700.9 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 425.34 Å 3
Surface Area 336.63 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey VMFJXXDSIWLSJN-HSOHWKKZSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N