[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoate

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Properties Simple | Detailed

Formula C19H23N6O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-3-(4-hydroxyphenyl)propanoate
Molecular Mass 510.394 g·mol−1
Heat of Formation -1613.5 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 537.95 Å 3
Surface Area 430.11 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey NFCVQVDMLQEZAK-URQYDQELSA-N
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