1,4-Anhydro-2-Deoxy-1-(2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-5-O-Phosphonopentitol

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Formula C9H13N2O8P++
IUPAC Name [(2r,3s,5r)-5-(2,4-dioxopyrimidin-5-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 308.182 g·mol−1
Heat of Formation -1738.8 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 305.76 Å 3
Surface Area 269.17 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey QJNQHNJPOXCQQR-RRKCRQDMSA-N
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