[(2R,3S,5R)-5-(3-Carbamoyl-5-Nitro-Indol-1-Ium-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C14H16N3O9P
IUPAC Name [(2r,3s,5r)-5-(3-carbamoyl-5-nitro-indol-1-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 401.265 g·mol−1
Heat of Formation -1458.7 ± 16.7 kJ·mol−1
Dipole Moment 11.99 ± 1.08 D
Volume 410.52 Å 3
Surface Area 349.76 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey URAZIJNFDYCANW-YNEHKIRRSA-N
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