[(2R,3S,5R)-3-Hydroxy-5-[(6S,8R)-8-Hydroxy-6-[(1S)-1-Hydroxyhexyl]-10-Oxo-4,6,7,8-Tetrahydropyrimido[1,2-A]Purin-1-Ium-3A-Id-3-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C19H31N5O9P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[(6s,8r)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-10-oxo-4,6,7,8-tetrahydropyrimido[1,2-a]purin-1-ium-3a-id-3-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 504.451 g·mol−1
Heat of Formation -1801.5 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 551.81 Å 3
Surface Area 482.32 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey MKSHLULPZJNORI-PKCACUDHSA-Q
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