(2S,3R,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl 2-(1H-Indol-3-Yl)Ethyl Hydrogen (S)-Phosphate

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Properties Simple | Detailed

Formula C19H21N6O7P
IUPAC Name [(2s,3r,4r,5r)-5-(6-aminopurin-9-ium-3-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl] 2-(5h-indol-1-ium-5-id-3-yl)ethyl hydrogen phosphate
Molecular Mass 476.380 g·mol−1
Heat of Formation -1160.8 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 502.85 Å 3
Surface Area 409.62 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey OLRAQXYDQRFQTA-RGCFKVTRSA-N
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