Cgs-21680

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Properties Simple | Detailed

Formula C23H29N7O6
IUPAC Name 3-[4-[2-[[6-amino-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Molecular Mass 499.520 g·mol−1
Heat of Formation -872.6 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 579.67 Å 3
Surface Area 493.02 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-[2-[[6-amino-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-tetrahydrofuranyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid
  • 3-[4-[2-[[6-amino-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
  • 3-[4-[2-[[6-amino-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
  • 3-[4-[2-[[6-amino-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]amino]ethyl]phenyl]propionic acid
  • 3-[4-[2-[[6-amino-9-[(3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid hydrochloride
  • cgs21680
InChIKey PAOANWZGLPPROA-RQXXJAGISA-N
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