(5R,6R)-6-[6-Amino-8-(Methylsulfanyl)-9H-Purin-9-Yl]Tetrahydro-4H-Furo[2,3-D][1,3,2]Dioxaphosphinine-2,5-Diol 2-Oxide

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Properties Simple | Detailed

Formula C11H5N5O6PS
IUPAC Name [5-[(5e)-4-cyano-5-cyanoimino-2-(methylidyne-λ4-sulfanyl)imidazol-3-ium-1-yl]-4-oxo-3-(oxomethylene)tetrahydrofuran-2-yl]oxy-oxido-oxo-phosphonium
Molecular Mass 366.226 g·mol−1
Heat of Formation 226.4 ± 16.7 kJ·mol−1
Dipole Moment 13.19 ± 1.08 D
Volume 358.52 Å 3
Surface Area 323.62 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
InChIKey HDYHKWPWVLEDBZ-IHVVVHBASA-N
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