2'-Deoxy-N-(8-Methoxy-5-Oxo-5,6-Dihydro[1,3]Benzodioxolo[6,5,4-Cd]Benzo[F]Indol-7-Yl)Adenosine

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Properties Simple | Detailed

Formula C27H22N6O7
IUPAC Name n-[9-(2-deoxypentofuranosyl)-9h-purin-6-yl]-8-methoxy-5-oxo-5,6-dihydro[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-7-amine
Molecular Mass 542.500 g·mol−1
Heat of Formation -560.6 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 580.51 Å 3
Surface Area 457.4 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
InChIKey XHHBEDPFSNICRL-JQFCIGGWSA-N
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