[(2R,3S,5R)-5-[2-Amino-5-(Aminomethyl)-4-Oxo-3H-Pyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-7-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H19N5O7P
IUPAC Name [(2r,3s,5r)-5-[2-amino-5-(aminomethyl)-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-1-ium-4a-id-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 376.282 g·mol−1
Heat of Formation -1349.3 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 395.07 Å 3
Surface Area 359.02 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey YBZTXLKADRZYQW-ZIUGKXLUSA-P
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