(7R,9S)-2-Amino-7-Ethyl-9-[(2R,5S)-5-(Hydroxymethyl)-4-Oxo-Tetrahydrofuran-2-Yl]-3,8-Dihydropurin-1-Ium-6-One; Phosphenic Acid

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Properties Simple | Detailed

Formula C12H19N5O7P+
IUPAC Name (7r,9s)-2-amino-7-ethyl-9-[(2r,5s)-5-(hydroxymethyl)-4-oxo-tetrahydrofuran-2-yl]-3,8-dihydropurin-1-ium-6-one; phosphenic acid
Molecular Mass 376.282 g·mol−1
Heat of Formation -1246.0 ± 16.7 kJ·mol−1
Dipole Moment 7.98 ± 1.08 D
Volume 399.55 Å 3
Surface Area 346.83 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey DAUIPRHSYNKLFO-QRPMWFLTSA-O
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