(1S)-1,4-Anhydro-2,3,5-Tri-O-Benzyl-1-(5,7-Diamino-2H-Pyrazolo[4,3-D]Pyrimidin-3-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C31H32N6O4
IUPAC Name 3-[(2s,3s,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2h-pyrazolo[3,4-e]pyrimidine-5,7-diamine
Molecular Mass 552.624 g·mol−1
Heat of Formation -81.0 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 655.04 Å 3
Surface Area 469.54 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3s,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-tetrahydrofuranyl]-2h-pyrazolo[3,4-e]pyrimidine-5,7-diamine
  • 3-[(2s,3s,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)tetrahydrofuran-2-yl]-2h-pyrazolo[3,4-e]pyrimidine-5,7-diamine
  • 5,7-diamino-3-(2,3,5-tri-o-benzyl-beta-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
  • 5-aminoformycin a
  • [5-amino-3-[(2s,3s,4r,5r)-3,4-bis(benzyloxy)-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-2h-pyrazolo[3,4-e]pyrimidin-7-yl]amine
  • d-ribitol, 1,4-anhydro-1-c-(5,7-diamino-1h-pyrazolo(4,3-d)pyrimidin-3-yl)-2,3,5-tris-o-(phenylmethyl)-, (1s)-
CAS Number(s)
  • 122018-90-0
InChIKey WENLZMQZXRANMU-HYJYBNJOSA-N
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