[(8S,9S,10R,11R,12R,13R,14S,15R,20S,21R)-8-Hydroxy-20,21-Dimethyl-16,17,18,19-Tetraoxo-34,35,36,37-Tetraoxa-22,23,24,25-Tetrazahexacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah]Hexacosan-13-Yl]Methyl Dihydrogen Phosphate

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Formula C21H29N4O13P
IUPAC Name [(8s,9s,10r,11r,12r,13r,14s,15r,20s,21r)-8-hydroxy-20,21-dimethyl-16,17,18,19-tetraoxo-34,35,36,37-tetraoxa-22,23,24,25-tetrazahexacyclo[blah.blah.blah.blah.blah.blah.blah]hexacosan-13-yl]methyl dihydrogen phosphate
Molecular Mass 576.448 g·mol−1
Heat of Formation -2538.2 ± 16.7 kJ·mol−1
Dipole Moment 13.76 ± 1.08 D
Volume 588.5 Å 3
Surface Area 426.52 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey OEDVFXVLZFMULF-LLNRWBJTSA-N
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