2-Amino-1-Methyl-9-(5-O-Phosphono-β-D-Ribofuranosyl)-1,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

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
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