Futalosine

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Properties Simple | Detailed

Formula C19H18N4O7
IUPAC Name 3-[3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]propanoyl]benzoic acid
Molecular Mass 414.369 g·mol−1
Heat of Formation -861.1 ± 16.7 kJ·mol−1
Dipole Moment 12.79 ± 1.08 D
Volume 451.48 Å 3
Surface Area 391.4 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-keto-3h-purin-9-yl)tetrahydrofuran-2-yl]propanoyl]benzoic acid
  • 3-[3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)-2-tetrahydrofuranyl]-1-oxopropyl]benzoic acid
  • 3-[3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid
  • 3-[3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)tetrahydrofuran-2-yl]propanoyl]benzoic acid
InChIKey VEDWXCWBMDQNCV-SCFUHWHPSA-N
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