5'-O-(L-Tyrosylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C19H23N7O8S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate
Molecular Mass 509.493 g·mol−1
Heat of Formation -1107.7 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 535.47 Å 3
Surface Area 374.11 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-[n-(l-tyrosyl)sulfamoyl]adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate
  • n-[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • tyrosyladenylate
  • ysa
InChIKey MJZAZMKENKZBAJ-QTOWJTHWSA-N
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