(2S,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-9-Yl)-N-[[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Methylsulfonyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide
Properties
Property | Value |
---|---|
Formula | C20H24N8O11S |
IUPAC Name | (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methylsulfonyl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide |
Molecular Mass | 584.517 g·mol−1 |
Heat of Formation | -1650.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.72 ± 1.08 D |
Volume | 599.08 Å 3 |
Surface Area | 490.1 Å 2 |
HOMO Energy | -9.25 ± 0.55 eV |
LUMO Energy | 2.25 ± eV |
Point Group Symmetry | C1 |
InChIKey | KEQMCGJHYDWPEW-ZSIUBJGCSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |