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

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Properties Simple | Detailed

Formula C24H29N7O5S
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-(benzothiophen-3-yl)ethyl]amino]butanoic acid
Molecular Mass 527.596 g·mol−1
Heat of Formation -516.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 597.01 Å 3
Surface Area 450.42 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey FSMQALLDUCWVDV-PISIQOCNSA-N
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