Futalosine

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Properties Simple | Detailed

Formula C19H19N4O7
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 415.377 g·mol−1
Heat of Formation -883.7 ± 16.7 kJ·mol−1
Dipole Moment 9.92 ± 1.08 D
Volume 452.8 Å 3
Surface Area 365.57 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.26 ± 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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