1-(6-Amino-4-Pyrimidinyl)-2,5-Anhydro-1-Deoxy-6-O-[Hydroxy(Phosphonooxy)Phosphoryl]Hexitol

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Properties Simple | Detailed

Formula C10H17N3O10P2
IUPAC Name [(2s,3r,4s,5r)-5-[(6-aminopyrimidin-4-yl)methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 401.204 g·mol−1
Heat of Formation -2371.4 ± 16.7 kJ·mol−1
Dipole Moment 8.34 ± 1.08 D
Volume 407.64 Å 3
Surface Area 333.06 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey AFRPZTUILYHHGY-YIKMNZTOSA-N
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