4-Amino-7-(5-Deoxy-β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile

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Properties Simple | Detailed

Formula C12H13N5O3
IUPAC Name 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Molecular Mass 275.263 g·mol−1
Heat of Formation -207.3 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 308.23 Å 3
Surface Area 277.39 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-2-tetrahydrofuranyl]-5-pyrrolo[5,4-d]pyrimidinecarbonitrile
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-oxolan-2-yl]pyrrolo[5,4-d]pyrimidine-5-carbonitrile
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]pyrrolo[5,4-d]pyrimidine-5-carbonitrile
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[5,4-d]pyrimidine-5-carbonitrile
  • 5'-deoxytoyocamycin
  • 7h-pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-(5-deoxy-beta-d-ribofuranosyl)-
CAS Number(s)
  • 65562-55-2
InChIKey FONCIRHYMMLGTI-JJNLEZRASA-N
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