5'-O-(L-Cysteinylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C13H21N7O7S2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2r)-2-amino-3-sulfanylpropanoyl]sulfamate
Molecular Mass 451.479 g·mol−1
Heat of Formation -993.7 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 464.15 Å 3
Surface Area 369.48 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2r)-2-amino-3-sulfanyl-propanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2r)-2-amino-3-sulfanyl-propanoyl]sulfamate
  • n-[(2r)-2-amino-3-mercapto-1-oxopropyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-[(2r)-2-amino-3-mercapto-propanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
InChIKey FTSDEWPMACCNGN-YTMOPEAISA-N
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