9-{5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Ribofuranosyl}-1,9-Dihydro-6H-Purine-6-Thione
Properties
Property | Value |
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Formula | C10H14N4O10P2S |
IUPAC Name | [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-thioxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
Molecular Mass | 444.251 g·mol−1 |
Heat of Formation | -2071.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.47 ± 1.08 D |
Volume | 433.23 Å 3 |
Surface Area | 368.64 Å 2 |
HOMO Energy | -8.01 ± 0.55 eV |
LUMO Energy | -1.57 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | MHJZYMCYLFGDRD-KQYNXXCUSA-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 |