2-Amino-7-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]-1,5-Dihydro-4H-Pyrrolo[3,2-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C11H15N5O4
IUPAC Name 2-amino-7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Molecular Mass 281.268 g·mol−1
Heat of Formation -509.9 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 307.84 Å 3
Surface Area 279.09 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol
  • 2-amino-7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 2-amino-7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • img
  • immucillin-g
InChIKey KBIDJCVAURJXFG-PVEDRDFWSA-N
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