5'-Deoxy-5'-[(L-Isoleucylsulfamoyl)Amino]Adenosine

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Properties Simple | Detailed

Formula C16H26N8O6S
IUPAC Name (2s,3s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-3-methyl-pentanamide
Molecular Mass 458.493 g·mol−1
Heat of Formation -933.1 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 503.17 Å 3
Surface Area 378.98 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methylsulfamoyl]-3-methylpentanamide
  • (2s,3s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfamoyl]-3-methyl-pentanamide
  • (2s,3s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-3-methyl-pentanamide
  • (2s,3s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-3-methyl-valeramide
InChIKey XVTRBLLRODNOJV-VBJYJYTRSA-N
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