2-Amino-1-Methyl-9-(5-O-Phosphono-β-D-Ribofuranosyl)-1,9-Dihydro-6H-Purine-6-Thione
Properties
Property | Value |
---|---|
Formula | C11H16N5O7PS |
IUPAC Name | [(2r,3r,4r,5r)-5-(2-amino-1-methyl-6-thioxo-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 393.313 g·mol−1 |
Heat of Formation | -1241.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.18 ± 1.08 D |
Volume | 396.75 Å 3 |
Surface Area | 341.14 Å 2 |
HOMO Energy | -8.28 ± 0.55 eV |
LUMO Energy | -1.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | YHQQBFWWLQQMMX-FPSVSHIKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |