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

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Properties Simple | Detailed

Formula C15H24N8O6S
IUPAC Name (2s)-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-butanamide
Molecular Mass 444.466 g·mol−1
Heat of Formation -905.9 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 481.12 Å 3
Surface Area 366.48 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methylsulfamoyl]-3-methylbutanamide
  • (2s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfamoyl]-3-methyl-butanamide
  • (2s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-3-methyl-butanamide
  • (2s)-2-amino-n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-3-methyl-butyramide
  • n-[valinyl]-n'-[adenosyl]-diaminosufone
  • vaa
InChIKey ILBDFTSSTCBHRF-CYUGOOACSA-N
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