2-Amino-5-({[(1R,4R,5S)-4,5-Dihydroxy-2-Cyclopenten-1-Yl]Amino}Methyl)-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C12H15N5O3
IUPAC Name 2-amino-5-[[[(1r,4r,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-6,7-dihydro-1h-pyrrolo[2,3-d]pyrimidine-2,3,4a,5,6,7a-hexaid-4-one
Molecular Mass 277.279 g·mol−1
Heat of Formation -187.6 ± 16.7 kJ·mol−1
Dipole Moment 10.72 ± 1.08 D
Volume 313.23 Å 3
Surface Area 283.73 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
InChIKey WYROLENTHWJFLR-BHNWBGBOSA-N
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