5'-O-(L-Leucylsulfamoyl)Adenosine

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Properties Simple | Detailed

Formula C16H27N7O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2-amino-4-methylpentanoyl]sulfamate
Molecular Mass 461.493 g·mol−1
Heat of Formation -1076.6 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 501.43 Å 3
Surface Area 401.04 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-2-amino-4-methyl-pentanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-amino-4-methyl-pentanoyl]sulfamate
  • leu-lms
  • n-[(2s)-2-amino-4-methyl-1-oxopentyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-[(2s)-2-amino-4-methyl-pentanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
InChIKey XFEDFDTWJLGMBO-LEJQEAHTSA-N
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