5'-O-(L-Threonylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C14H21N7O8S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s,3r)-2-amino-3-hydroxybutanoyl]sulfamate
Molecular Mass 447.424 g·mol−1
Heat of Formation -1207.1 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 463.58 Å 3
Surface Area 370.12 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-(n-(l-threonyl)-sulfamoyl)adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s,3r)-2-amino-3-hydroxy-butanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s,3r)-2-amino-3-hydroxy-butanoyl]sulfamate
  • n-[(2s,3r)-2-amino-3-hydroxy-1-oxobutyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-[(2s,3r)-2-amino-3-hydroxy-butanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • tsb
InChIKey UPVAPSGKXAAHBG-CKTDUXNWSA-N
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