(2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-{3-[(2-Aminoethyl)Amino]-3-Oxopropyl}Phenyl)Ethyl]Amino}-9H-Purin-9-Yl)-N-Ethyl-3,4-Dihydroxytetrahydro-2-Furancarboxamide

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Properties Simple | Detailed

Formula C25H35N9O5
IUPAC Name (2s,3s,4r,5r)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxo-propyl]phenyl]ethylamino]purine-1,3,7-triium-9-yl]-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 541.603 g·mol−1
Heat of Formation -638.3 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 641.27 Å 3
Surface Area 564.59 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-keto-propyl]phenyl]ethylamino]purin-9-yl]-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxo-propyl]phenyl]ethylamino]purin-9-yl]-n-ethyl-3,4-dihydroxy-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxo-propyl]phenyl]ethylamino]purin-9-yl]-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]-9-purinyl]-n-ethyl-3,4-dihydroxy-2-tetrahydrofurancarboxamide
  • (2s,3s,4r,5r)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]purin-9-yl]-n-ethyl-3,4-dihydroxyoxolane-2-carboxamide
  • 2-((2-aminoethylamino)carbonylethylphenylethylamino)-5'-n-ethylcarboxamidoadenosine
  • apec-2
  • beta-d-ribofuranuronamide, 1-(6-amino-2-((2-(4-(3-((2-aminoethyl)amino)-3-oxopropyl)phenyl)ethyl)amino)-9h-purin-9-yl)-1-deoxy-n-ethyl-
CAS Number(s)
  • 126828-50-0
InChIKey UXUFTKZYJYGMGO-CMCWBKRRSA-N
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