{2-[(3S,4R)-3-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-4-Hydroxy-1-Pyrrolidinyl]-2-Oxoethyl}Phosphonic Acid

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Properties Simple | Detailed

Formula C11H15N6O6P
IUPAC Name [2-[(3s,4r)-3-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-pyrrolidin-1-yl]-2-oxo-ethyl]phosphonic acid
Molecular Mass 358.247 g·mol−1
Heat of Formation -1000.6 ± 16.7 kJ·mol−1
Dipole Moment 10.61 ± 1.08 D
Volume 369.31 Å 3
Surface Area 330.98 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey PIHCTBQWWHFPNB-NTSWFWBYSA-N
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