N-(3-Aminobenzo[Pqr]Tetraphen-6-Yl)-2'-Deoxyguanosine

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Properties Simple | Detailed

Formula C30H31N6O4+
IUPAC Name 2-[(3-aminobenzo[a]pyren-6-yl)amino]-9-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 539.605 g·mol−1
Heat of Formation -131.9 ± 16.7 kJ·mol−1
Dipole Moment 15.69 ± 1.08 D
Volume 577.21 Å 3
Surface Area 429.74 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
InChIKey SEXALPSLOUSOAV-XPWALMASSA-N
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