O-{[(2R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-Hydroxy-2,5-Dihydro-2-Furanyl]Methyl} Hydrogen Methylphosphonothioate

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Properties Simple | Detailed

Formula C11H6N5O4PS
IUPAC Name [5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-2,3-dioxo-pent-4-ynoxy]-oxo-(sulfoniumylidynemethyl)phosphonium
Molecular Mass 335.235 g·mol−1
Heat of Formation 822.0 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 345.65 Å 3
Surface Area 336.88 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -3.19 ± eV
Point Group Symmetry C1
InChIKey ICRGYFPAGKGSJA-SMGPQHALSA-N
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