9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-N-(7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[Pqr]Tetraphen-10-Yl)-9H-Purin-6-Amine

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Formula C30H28N5O9P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-[[(7r,8r,9s,10r)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 633.545 g·mol−1
Heat of Formation -1499.5 ± 16.7 kJ·mol−1
Dipole Moment 10.28 ± 1.08 D
Volume 653.88 Å 3
Surface Area 498.2 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey PCKWPNBFFBGKTM-CYWHKOSGSA-N
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