[(2R,3S,4R,5S)-5-(5,6-Dimethylbenzimidazol-1-Ium-6-Id-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(1R)-1-Methyl-2-[3-[(40S,41S,42S,43S,44R,48R,50S,51R,69R,70S,71S,72R,86R,88S)-44,70,71-Tris(2-Amino-2-Oxo-Ethyl)-41,42,43-Tris(3-Amino-3-Oxo-Propyl)-106-[5-(6-Aminopurin-9-Ium-4-Ylium-9-Yl)Pentyl]-52,54,68,68,69,70,71,72-Octamethyl-Blahoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Tetracosa-15(55),54(56)-Dien-69-Yl]Propanoylamino]Ethyl] Phosphate

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Properties Simple | Detailed

Formula C72H109CoN18O14P+
IUPAC Name [(2r,3s,4r,5s)-5-(5,6-dimethylbenzimidazol-1-ium-6-id-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1r)-1-methyl-2-[3-[(40s,41s,42s,43s,44r,48r,50s,51r,69r,70s,71s,72r,86r,88s)-44,70,71-tris(2-amino-2-oxo-ethyl)-41,42,43-tris(3-amino-3-oxo-propyl)-106-[5-(6-aminopurin-9-ium-4-ylium-9-yl)pentyl]-52,54,68,68,69,70,71,72-octamethyl-blahoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]tetracosa-15(55),54(56)-dien-69-yl]propanoylamino]ethyl] phosphate
Molecular Mass 1540.655 g·mol−1
Heat of Formation -2645.2 ± 16.7 kJ·mol−1
Dipole Moment 13.77 ± 1.08 D
Volume 1760.78 Å 3
Surface Area 1136.3 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -2.13 ± eV
Point Group Symmetry C1
InChIKey ZTPBMRCCSGPBQS-OGKXECBZSA-O
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