Methyl (2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Λ4-Sulfanyl]Butanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H26N6O5S
IUPAC Name methyl (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-λ4-sulfanyl]butanoate
Molecular Mass 414.480 g·mol−1
Heat of Formation -549.5 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 473.39 Å 3
Surface Area 381.02 Å 2
HOMO Energy -7.29 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey NAKVRMNIKCRDOL-OPYVMVOTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N