O-{[(2R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxy-2,5-Dihydro-2-Furanyl]Methyl} Dihydrogen Phosphorothioate
Properties
Property | Value |
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Formula | C10H12N5O6PS |
IUPAC Name | 2-amino-9-[(2r,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-2,5-dihydrofuran-2-yl]-3h-purin-6-one |
Molecular Mass | 361.271 g·mol−1 |
Heat of Formation | -964.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 13.26 ± 1.08 D |
Volume | 371.41 Å 3 |
Surface Area | 313.89 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -0.63 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | KBIVNMNCTHXFAZ-PHDIDXHHSA-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 |