β-D-Ribo-Oct-4-Enofuranuronic Acid, 1-(6-Amino-9H-Purin-9-Yl)-3,6-Anhydro-6-C-Carboxy-1,5,7-Trideoxy-

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Properties Simple | Detailed

Formula C14H13N5O7
IUPAC Name 4-[5-(6-amino-2,8-dihydropurin-9-yl)-3,4-dioxo-tetrahydrofuran-2-yl]but-2-ynoate; carbon dioxide
Molecular Mass 363.282 g·mol−1
Heat of Formation -826.7 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 370.62 Å 3
Surface Area 325.35 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,3as,5r)-2-(6-amino-9-purinyl)-5-(carboxymethyl)-3-hydroxy-3,3a-dihydro-2h-furo[5,4-d]furan-5-carboxylic acid
InChIKey WRHIKWNGCJVUOW-MGGABWITSA-N
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