5'-O-(L-Glutaminylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C15H22N8O8S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2,5-diamino-5-oxo-pentanoyl]sulfamate
Molecular Mass 474.449 g·mol−1
Heat of Formation -1225.2 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 502.44 Å 3
Surface Area 372.32 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-[n-(l-glutaminyl)-sulfamoyl]adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-2,5-diamino-5-oxo-pentanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2,5-diamino-5-oxo-pentanoyl]sulfamate
  • n-[(2s)-2,5-diamino-1,5-dioxopentyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-[(2s)-2,5-diamino-5-keto-pentanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • qsi
InChIKey KXWKSWRGZLZHEF-WERHYGNASA-N
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