2-Amino-4-[{[5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}(Ethyl)Sulfonio]Butanoate
Properties
Property | Value |
---|---|
Formula | C16H24N6O5S |
IUPAC Name | (2r)-2-amino-4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-ethyl-sulfonio]butanoate |
Molecular Mass | 412.464 g·mol−1 |
Heat of Formation | 1257.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.54 ± 1.08 D |
Volume | 418.55 Å 3 |
Surface Area | 373.61 Å 2 |
HOMO Energy | -8.43 ± 0.55 eV |
LUMO Energy | -2.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | UBQZUBPODLPCFG-XIFWJBDBSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | S C O N |