5'-{[(3S)-3-Amino-3-Carboxypropyl][2-(1H-Indol-3-Yl)Ethyl]Amino}-5'-Deoxyadenosine

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Properties Simple | Detailed

Formula C24H30N8O5
IUPAC Name (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[2-(2h-indol-1-ium-2-ylium-3-yl)ethyl]amino]butanoic acid
Molecular Mass 510.546 g·mol−1
Heat of Formation -516.1 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 586.93 Å 3
Surface Area 452.26 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey OIXWDGFFHFFLEE-WUASKDLJSA-N
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