4-Amino-1-(5-O-Phosphono-β-D-Ribofuranosyl)-2(1H)-Pyrimidinethione

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Formula C9H14N3O7PS
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-thioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 339.262 g·mol−1
Heat of Formation -1393.5 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 346.13 Å 3
Surface Area 308.07 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey BPWVHBCPZTVLLY-ZAKLUEHWSA-O
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