[(2S,3S,3Ar,6E,9As)-3-Hydroxy-6-Imino-2,3,3A,9A-Tetrahydro-6H-Furo[2',3':4,5][1,3]Oxazolo[3,2-A]Pyrimidin-2-Yl]Methyl Dihydrogen Phosphate

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Formula C9H13N3O7P
IUPAC Name [(2r,3r,3as,9ar)-3-hydroxy-2-(phosphonooxymethyl)-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-5-ium-6-yl]azanide
Molecular Mass 306.189 g·mol−1
Heat of Formation -1264.4 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 305.44 Å 3
Surface Area 271.46 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey RFDMQLYQQYSJMZ-PJNBIRNISA-O
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