(1R,2R,3S,4S,5S)-3-(6-Amino-9H-Purin-9-Yl)-1-(Hydroxymethyl)-6-Oxabicyclo[3.1.0]Hexane-2,4-Diol

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Properties Simple | Detailed

Formula C11H13N5O4
IUPAC Name (1s,2s,3s,4r,5r)-3-(6-aminopurine-1,3,7-triium-9-yl)-5-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol
Molecular Mass 279.252 g·mol−1
Heat of Formation -318.4 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 295.86 Å 3
Surface Area 266.0 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey KFVDGQIFGNKMLJ-NFQFAKNOSA-O
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