[(2R,3S,4R,5R)-5-[2-Amino-5-(Aminomethyl)-4-Oxo-3,6-Dihydropyrrolo[2,3-D]Pyrimidine-1,2,4A,5,6,7A-Hexaid-7-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H19N5O8P+
IUPAC Name [(2r,3s,4r,5r)-5-[2-amino-5-(aminomethyl)-4-oxo-3,6-dihydropyrrolo[2,3-d]pyrimidine-1,2,4a,5,6,7a-hexaid-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 392.282 g·mol−1
Heat of Formation -1592.5 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 402.18 Å 3
Surface Area 340.09 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey GIQSPNMTDJCDKB-IOSLPCCCSA-N
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