(2S,3S,4R,5R)-N-(6-{[(2R)-1-{[(2R)-1-Amino-5-Carbamimidamido-1-Oxo-2-Pentanyl]Amino}-5-Carbamimidamido-1-Oxo-2-Pentanyl]Amino}-6-Oxohexyl)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furancarboxamide

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Properties Simple | Detailed

Formula C28H49N15O7
IUPAC Name [[[(4r)-5-amino-4-[[(2r)-2-[6-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]hexanoylamino]-5-[[azanidyl(azaniumylidene)methyl]amino]pentanoyl]amino]-5-oxo-pentyl]amino]-azaniumylidene-methyl]azanide
Molecular Mass 707.785 g·mol−1
Heat of Formation -1050.0 ± 16.7 kJ·mol−1
Dipole Moment 9.64 ± 1.08 D
Volume 844.37 Å 3
Surface Area 720.32 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey KFJBBCJEBVHMMY-KRNUZZCISA-N
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