(2S,3S,4R,5S)-2-[(4R)-4-Amino-4,5-Dihydro-3H-Pyrrolo[3,2-D]Pyrimidin-7-Yl]-5-[(Methylsulfanyl)Methyl]-3,4-Pyrrolidinediol

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Formula C12H19N5O2S
IUPAC Name (2s,3s,4r,5s)-2-[(4r)-4-amino-4,6-dihydro-3h-pyrrolo[3,2-d]pyrimidin-5-ium-6-ylium-7-yl]-5-(methylsulfanylmethyl)pyrrolidine-3,4-diol
Molecular Mass 297.377 g·mol−1
Heat of Formation -166.2 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 342.78 Å 3
Surface Area 296.66 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
InChIKey YLCQGEBEQIBOOJ-XKBJCNPTSA-N
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