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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Properties Simple | Detailed

Formula C30H14N5O9P
IUPAC Name [2,3-dioxo-5-[6-[(z)-(7,8,9-trioxobenzo[a]pyren-10-ylidene)amino]-2,8-dihydropurin-9-yl]pent-4-ynoyl]oxy-oxido-oxo-phosphonium
Molecular Mass 619.434 g·mol−1
Heat of Formation 2198.3 ± 16.7 kJ·mol−1
Dipole Moment 13.45 ± 1.08 D
Volume 616.33 Å 3
Surface Area 518.78 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -3.99 ± eV
Point Group Symmetry C1
InChIKey PCKWPNBFFBGKTM-HGCLXHPZSA-N
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