5'-O-(L-Serylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C13H21N7O8S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2-amino-3-hydroxypropanoyl]sulfamate
Molecular Mass 435.413 g·mol−1
Heat of Formation -1142.4 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 457.56 Å 3
Surface Area 383.86 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-(n-(l-seryl)-sulfamoyl)adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-2-amino-3-hydroxy-propanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-amino-3-hydroxy-propanoyl]sulfamate
  • n-[(2s)-2-amino-3-hydroxy-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-hydroxy-propanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • ssa
InChIKey HQXFJGONGJPTLZ-YTMOPEAISA-N
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