(2S,5S,6E)-2,5-Diamino-6-[(3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Ylidene]Hexanoic Acid

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Formula C15H23N7O5
IUPAC Name (2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-ylidene]hexanoic acid
Molecular Mass 381.387 g·mol−1
Heat of Formation -592.3 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 434.03 Å 3
Surface Area 381.19 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey UJCMQHGMDQSOJY-XVIGKWCNSA-O
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