(5R)-5-(7-Amino-2H-Pyrazolo[4,3-D]Pyrimidin-3-Yl)-2,5-Anhydro-1-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-D-Ribitol

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Properties Simple | Detailed

Formula C10H16N5O13P3
IUPAC Name [[(2r,3s,4r,5s)-5-(7-amino-2h-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 507.181 g·mol−1
Heat of Formation -2988.8 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 474.29 Å 3
Surface Area 407.45 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey DCMOKHVROIRMGQ-KSYZLYKTSA-N
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