[(2S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C9H17N3O9P2
IUPAC Name [[5-(6-amino-2-hydroxy-4,5-dihydropyrimidin-1-ium-5-id-3-yl)-2,3-dihydrofuran-2-yl]methoxy-oxo-phosphaniumyl]oxy-hydroperoxy-dihydroxy-phosphonium; hydron
Molecular Mass 374.201 g·mol−1
Heat of Formation -2158.9 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 369.26 Å 3
Surface Area 319.56 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey FVSQWXITYSICAK-POYBYMJQSA-O
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