(1S)-1-(4-Amino-3-Cyano-1H-Pyrazol-5-Yl)-1,4-Anhydro-2,3,5-Tri-O-Benzyl-D-Ribitol

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Properties Simple | Detailed

Formula C27H26N4O4
IUPAC Name 4-amino-5-[(2s,3s,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1h-pyrazole-3-carbonitrile
Molecular Mass 470.520 g·mol−1
Heat of Formation -71.5 ± 16.7 kJ·mol−1
Dipole Moment 8.41 ± 1.08 D
Volume 620.78 Å 3
Surface Area 448.58 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-3-(2,3,5-tri-o-benzyl-beta-ribofuranosyl)-5-pyrazole carbonitrile
  • 4-amino-5-[(2s,3s,4r,5r)-3,4-bis(benzyloxy)-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-1h-pyrazole-3-carbonitrile
  • 4-amino-5-[(2s,3s,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-tetrahydrofuranyl]-1h-pyrazole-3-carbonitrile
  • 4-amino-5-[(2s,3s,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)tetrahydrofuran-2-yl]-1h-pyrazole-3-carbonitrile
  • atrp carbonitrile
CAS Number(s)
  • 88287-77-8
InChIKey HUBWHNUTIGYFNI-VFKOLLTISA-N
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