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

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13N5O7
IUPAC Name 6-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2h-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
Molecular Mass 327.250 g·mol−1
Heat of Formation -846.0 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 338.75 Å 3
Surface Area 298.69 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazolo(3,4-d)pyrimidine-3-carboxylic acid, 6-amino-4,5-dihydro-4-oxo-1-beta-d-ribofuranosyl-
  • 1h-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid, 6-amino-4,5-dihydro-4-oxo-1-.beta.-d-ribofuranosyl-
  • 6-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-oxo-2h-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
  • 6-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2h-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
  • 6-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2h-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
  • 6-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-2h-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
  • 6-amino-3-carboxy-1-.beta.-d-ribofuranosylpyrazolo[3,4-d]pyrimidin-4(5h)-one
  • 6-azacadeguomycin
CAS Number(s)
  • 96555-48-5
InChIKey FYBHIBPUKCABAD-BNMXECBLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N