5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-Dihydroxy-5-Methylcyclohexyl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Thymidine

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Formula C17H28N2O13P2++
IUPAC Name [[(1s,3r,4r,5s)-3,4-dihydroxy-5-methyl-cyclohexoxy]-hydroxy-phosphoryl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 530.357 g·mol−1
Heat of Formation -3100.7 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 549.52 Å 3
Surface Area 420.21 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey CWVOKCJHBPKJQP-PVMIAKCWSA-N
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