N-(2-Furylmethyl)Adenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C15H18N5O8P
IUPAC Name [(2r,3s,4r,5r)-5-[6-(2-furylmethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 427.306 g·mol−1
Heat of Formation -1327.8 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 443.85 Å 3
Surface Area 385.63 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-[6-(2-furylmethylamino)-9-purinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-(2-furylmethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
InChIKey WDFCXEWULSQTFC-SDBHATRESA-N
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