(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]-20,23-Bis(3-Carbamimidamidopropyl)-10-Methyl-1,8,11,18,21-Pentaoxo-2,9,12,19,22-Pentaazatetracosan-24-Amide (Non-Preferred Name)

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Properties Simple | Detailed

Formula C37H65N17O9
IUPAC Name [[[(4r)-5-amino-4-[[(2r)-2-[6-[[(2r)-2-[6-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]hexanoylamino]propanoyl]amino]hexanoylamino]-5-[[azanidyl(azaniumylidene)methyl]amino]pentanoyl]amino]-5-oxo-pentyl]amino]-azaniumylidene-methyl]azanide
Molecular Mass 892.020 g·mol−1
Heat of Formation -1486.8 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 1072.3 Å 3
Surface Area 949.73 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey SOPDRJHPMMUFQM-ZUGNLIAKSA-N
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