5'-O-(L-Cysteinylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C13H19N7O7S2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2r)-2-amino-3-sulfanyl-propanoyl]sulfamate
Molecular Mass 449.463 g·mol−1
Heat of Formation -949.9 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 469.76 Å 3
Surface Area 367.29 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.40 ± 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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