9-[2-Deoxy-5-O-(9-Phenyl-9H-Xanthen-9-Yl)-β-D-Erythro-Pentofuranosyl]-9H-Purine

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Properties Simple | Detailed

Formula C29H24N4O4
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-[[(9s)-9-phenyl-3h-xanthen-3-id-9-yl]oxymethyl]tetrahydrofuran-2-yl]-5-isocyano-imidazol-3-ium-5-ide-4-carbonitrile
Molecular Mass 492.525 g·mol−1
Heat of Formation -83.3 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 560.21 Å 3
Surface Area 443.58 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-2-[(9-phenyl-9-xanthenyl)oxymethyl]-5-(9-purinyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yl-oxolan-3-ol
  • (2r,3s,5r)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yl-tetrahydrofuran-3-ol
  • (2r,3s,5r)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yloxolan-3-ol
  • 5'-o-(9-phenylxanthen-9-yl)-2'-deoxynebularine
  • pxdn
CAS Number(s)
  • 114155-96-3
InChIKey WMLBMYGMIFJTCS-HUROMRQRSA-N
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