Formula |
C30H27N5O3 |
IUPAC Name |
(2r,3s,5s)-2-(hydroxymethyl)-5-[6-[(12-methylbenzo[a]anthracen-7-yl)methylamino]purin-9-ium-9-yl]tetrahydrofuran-3-ol |
Molecular Mass |
505.567 g·mol−1 |
Heat of Formation |
15.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.00 ± 1.08 D |
Volume |
577.97 Å 3 |
Surface Area |
495.12 Å 2 |
HOMO Energy |
-8.37 ± 0.55 eV |
LUMO Energy |
1.87 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QTJKRASRUTVRSR-NXCFDTQHSA-N |
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Elements |
H
C
O
N
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