(2S)-2-Amino-4-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C15H22N6O5S |
IUPAC Name | (2s)-2-azaniumyl-4-[[(2s,3s,4r,5r)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]methylsulfanyl]butanoate |
Molecular Mass | 398.437 g·mol−1 |
Heat of Formation | -661.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.53 ± 1.08 D |
Volume | 444.48 Å 3 |
Surface Area | 391.15 Å 2 |
HOMO Energy | -8.86 ± 0.55 eV |
LUMO Energy | -0.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | GEJILRRXJVSBCM-TWBCTODHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |