5'-{[(3S)-3-Amino-3-Carboxypropyl](Methyl)Amino}-5'-Deoxyadenosine

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Properties Simple | Detailed

Formula C15H23N7O5
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-methyl-amino]butanoic acid
Molecular Mass 381.387 g·mol−1
Heat of Formation -658.3 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 432.71 Å 3
Surface Area 362.06 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey JISVTSUBJCPLSV-JXXGEYSGSA-N
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