N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Allyl]-2,3-Dihydroxy-5-Nitro-Benzamide

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Properties Simple | Detailed

Formula C19H19N7O8
IUPAC Name n-[(e)-3-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]allyl]-2,3-dihydroxy-5-nitro-benzamide
Molecular Mass 473.396 g·mol−1
Heat of Formation -725.7 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 504.82 Å 3
Surface Area 399.15 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey OMIFFFUHWYUZHH-WGRQDFERSA-O
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