[(2S,3R,4R,5R)-5-(2-Amino-6-Thioxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H15N5O7PS
IUPAC Name [(2s,3r,4r,5r)-5-(2-amino-6-thioxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 380.294 g·mol−1
Heat of Formation -1227.5 ± 16.7 kJ·mol−1
Dipole Moment 13.15 ± 1.08 D
Volume 380.49 Å 3
Surface Area 332.9 Å 2
HOMO Energy -7.81 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey BNCXWNLMBCVCOP-BZKDHIKHSA-P
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