5'-O-{[(2S)-4-Amino-2-Ammonio-4-Oxobutanoyl]Sulfamoyl}Adenosine

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Properties Simple | Detailed

Formula C14H21N8O8S+
IUPAC Name [(1s)-3-amino-1-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxysulfonylcarbamoyl]-3-oxo-propyl]ammonium
Molecular Mass 461.430 g·mol−1
Heat of Formation 901.8 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 452.57 Å 3
Surface Area 390.54 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
InChIKey MOAVDHSPHZUJSX-UFIIOMENSA-O
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