[(2R,3S,4R,5S)-5-(5,6-Dimethylbenzimidazol-3-Ium-6-Id-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(1R)-1-Methyl-2-[3-[(30S,31S,32S,33R,37S,60R,61S,62S,63R,73R)-33,61,62-Tris(2-Amino-2-Oxo-Ethyl)-30,31,32-Tris(3-Amino-3-Oxo-Propyl)-44,45,59,59,60,61,62,63,92-Nonamethyl-Blahoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Tetracosa-14(47),44(49),45(50)-Trien-60-Yl]Propanoylamino]Ethyl] Phosphate

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Properties Simple | Detailed

Formula C63H96CoN13O14P
IUPAC Name [(2r,3s,4r,5s)-5-(5,6-dimethylbenzimidazol-3-ium-6-id-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1r)-1-methyl-2-[3-[(30s,31s,32s,33r,37s,60r,61s,62s,63r,73r)-33,61,62-tris(2-amino-2-oxo-ethyl)-30,31,32-tris(3-amino-3-oxo-propyl)-44,45,59,59,60,61,62,63,92-nonamethyl-blahoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]tetracosa-14(47),44(49),45(50)-trien-60-yl]propanoylamino]ethyl] phosphate
Molecular Mass 1349.422 g·mol−1
Heat of Formation -2660.9 ± 16.7 kJ·mol−1
Dipole Moment 35.58 ± 1.08 D
Volume 1562.17 Å 3
Surface Area 1042.24 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
InChIKey MLNFTCQIAZXAES-BYLSPCLQSA-N
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