[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Methylsulfanyl-4-Oxo-5,6-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidine-2,3,4A,5,6,7A-Hexaid-7-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H23N3O8PS+
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methylsulfanyl-4-oxo-5,6-dihydro-1h-pyrrolo[2,3-d]pyrimidine-2,3,4a,5,6,7a-hexaid-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 400.365 g·mol−1
Heat of Formation -1516.3 ± 16.7 kJ·mol−1
Dipole Moment 9.81 ± 1.08 D
Volume 394.14 Å 3
Surface Area 345.43 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey NZPSMPRYPRQFKK-KCGFPETGSA-N
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