2-Chloro-5'-O-Sulfamoyladenosine

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Properties Simple | Detailed

Formula C10H13ClN6O6S
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
Molecular Mass 380.765 g·mol−1
Heat of Formation -769.8 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 377.22 Å 3
Surface Area 332.43 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloroadenosine 5'-sulfamate
  • 5'-sulfamoyl-2-chloroadenosine
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl sulfamate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
  • adenosine, 2-chloro-, 5'-sulfamate
  • adenosine, 2-chloro-, 5'-sulfamate (ester)
  • antibiotic at 265
  • at 265
  • sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-2-chloro-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
CAS Number(s)
  • 66522-52-9
InChIKey JHUGCRSKMUFKHR-UUOKFMHZSA-N
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