2-Amino-7-{[(3R,4R)-3-Hydroxy-4-(Hydroxymethyl)-1-Pyrrolidinyl]Methyl}-1,5-Dihydro-4H-Pyrrolo[3,2-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C12H18N5O3
IUPAC Name 2-amino-7-[[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
Molecular Mass 280.303 g·mol−1
Heat of Formation -343.7 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 322.7 Å 3
Surface Area 292.43 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-[[(3r,4r)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 2-amino-7-[[(3r,4r)-3-hydroxy-4-methylol-pyrrolidin-1-yl]methyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
InChIKey GSPTUGDLYPMLCQ-SFYZADRCSA-N
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