9-[(6S)-3,6-Anhydro-6-Carboxy-6-(Carboxymethyl)-5-Deoxy-β-D-Ribo-Hexofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C14H15N5O7
IUPAC Name (2r,3r,3ar,5r,6ar)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2h-furo[3,2-b]furan-5-carboxylic acid
Molecular Mass 365.298 g·mol−1
Heat of Formation -1034.7 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 376.75 Å 3
Surface Area 299.79 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey JSIJXGJOXVPSCW-NMVKHQNRSA-N
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