5'-O-(L-Alanylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C13H21N7O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2-aminopropanoyl]sulfamate
Molecular Mass 419.414 g·mol−1
Heat of Formation -981.1 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 440.18 Å 3
Surface Area 365.04 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • '5'-o-(n-(l-alanyl)-sulfamoyl)adenosine
  • 5'-o-(n-(alanyl)sulfamoyl)adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-2-aminopropanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-aminopropanoyl]sulfamate
  • ala-sa
  • n-alanylsulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
CAS Number(s)
  • 112921-04-7
InChIKey CWWYMWDIYBJVLP-YTMOPEAISA-N
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