5'-O-(L-Valylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C15H25N7O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2-amino-3-methylbutanoyl]sulfamate
Molecular Mass 447.467 g·mol−1
Heat of Formation -1010.1 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 490.66 Å 3
Surface Area 408.95 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 5'o-[n-(l-valyl)sulphamoyl]adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-2-amino-3-methyl-butanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-amino-3-methyl-butanoyl]sulfamate
  • n-[(2s)-2-amino-3-methyl-1-oxobutyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-[(2s)-2-amino-3-methyl-butanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • vms
InChIKey TXCZGHBHNXNXMA-CYUGOOACSA-N
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