[(1S)-1-[(4-Azido-2-Nitro-Anilino)Methyl]-2-[[(1R,3R)-1-Hydroxy-2,2,5,5-Tetramethyl-Pyrrolidine-3-Carbonyl]Amino]Ethyl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C18H29N7O11P2
IUPAC Name [(1s)-1-[(4-azido-2-nitro-anilino)methyl]-2-[[(1r,3r)-1-hydroxy-2,2,5,5-tetramethyl-pyrrolidine-3-carbonyl]amino]ethyl] phosphono hydrogen phosphate
Molecular Mass 581.411 g·mol−1
Heat of Formation -1885.8 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 627.86 Å 3
Surface Area 513.79 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
InChIKey GDUFGSOZELKXII-STQMWFEESA-O
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