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

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Properties Simple | Detailed

Formula C11H17N4O13P3
IUPAC Name [[(2r,3s,4r,5s)-5-[(7r)-4-amino-7h-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 506.193 g·mol−1
Heat of Formation -3028.6 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 478.41 Å 3
Surface Area 355.3 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey MXSLUFGKBYJNGX-WQJMHRRTSA-N
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