9-(.β.-D-Xylofuranosyl)Guanine

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Properties Simple | Detailed

Formula C10H13N5O5
IUPAC Name 2-amino-9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 283.241 g·mol−1
Heat of Formation -603.2 ± 16.7 kJ·mol−1
Dipole Moment 13.49 ± 1.08 D
Volume 299.34 Å 3
Surface Area 267.7 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 2-amino-9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
  • 6h-purin-6-one, 1,9-dihydro-2-amino-9-beta-d-xylofuranosyl-
  • 6h-purin-6-one, 2-amino-1,7-dihydro-9-beta-d-xylofuranosyl- (9ci)
  • 9-(beta-d-xylofuranosyl)guanine
  • guanine, 9-(beta-d-xylofuranosyl)-
InChIKey NYHBQMYGNKIUIF-FTWQFJAYSA-N
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