1-[(2R,3R,4R,5R)-4-Hydroxy-3-(Trifluoromethylsulfanyl)-5-[(Trihydroxy-Λ5-Phosphanyl)Oxymethyl]Tetrahydrofuran-2-Yl]Pyrimidine-2,4-Dione

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Properties Simple | Detailed

Formula C10H14F3N2O8PS
IUPAC Name 1-[(2r,3r,4r,5r)-4-hydroxy-3-(trifluoromethylsulfanyl)-5-[(trihydroxy-λ5-phosphanyl)oxymethyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 410.261 g·mol−1
Heat of Formation -2277.2 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 388.19 Å 3
Surface Area 333.53 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
InChIKey HQACHJYAMJCNIP-XVFCMESISA-P
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