5'-O-(L-Prolylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C15H21N7O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-pyrrolidine-2-carbonyl]sulfamate
Molecular Mass 443.435 g·mol−1
Heat of Formation -973.7 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 466.34 Å 3
Surface Area 376.23 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • '5'-o-(n-(l-prolyl)-sulfamoyl)adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-pyrrolidin-2-yl]carbonylsulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-pyrrolidine-2-carbonyl]sulfamate
  • n-[oxo-[(2s)-2-pyrrolidinyl]methyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-prolylsulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • p5a
InChIKey LKVJEMXWEODCAY-JVEUSOJLSA-N
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