2-Amino-4-Oxo-7-(β-D-Ribofuranosyl)-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H14N4O7
IUPAC Name 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Molecular Mass 326.262 g·mol−1
Heat of Formation -1019.8 ± 16.7 kJ·mol−1
Dipole Moment 12.11 ± 1.08 D
Volume 342.51 Å 3
Surface Area 301.13 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, 2-amino-4,7-dihydro-4-oxo-7-beta-d-ribofuranosyl-
  • 1h-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, 4,7-dihydro-2-amino-4-oxo-7-beta-d-ribofuranosyl-
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-oxo-1h-pyrrolo[4,5-e]pyrimidine-5-carboxylic acid
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1h-pyrrolo[4,5-e]pyrimidine-5-carboxylic acid
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-1h-pyrrolo[4,5-e]pyrimidine-5-carboxylic acid
  • 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-1h-pyrrolo[4,5-e]pyrimidine-5-carboxylic acid
  • 7-carboxy-7-deazaguanosine
  • cadeguomycin
CAS Number(s)
  • 81645-08-1
InChIKey LVTNUSALLLYISD-KQYNXXCUSA-N
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