2-(6-Amino-9H-Purin-9-Yl)-6-Deoxy-β-D-Erythro-Hex-5-En-2-Ulofuranosyl

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Properties Simple | Detailed

Formula C11H13N5O4
IUPAC Name (2r,3r,4s)-2-(6-aminopurin-9-ium-9-yl)-2-(hydroxymethyl)-5-methylene-tetrahydrofuran-3,4-diol
Molecular Mass 279.252 g·mol−1
Heat of Formation -387.5 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 298.24 Å 3
Surface Area 264.11 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s)-2-(6-amino-9-purinyl)-2-(hydroxymethyl)-5-methylenetetrahydrofuran-3,4-diol
  • (2r,3r,4s)-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylene-tetrahydrofuran-3,4-diol
  • (2r,3r,4s)-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylidene-oxolane-3,4-diol
  • (2r,3r,4s)-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
  • (2r,3r,4s)-2-(6-aminopurin-9-yl)-5-methylene-2-methylol-tetrahydrofuran-3,4-diol
  • 9-(6-deoxy-beta-d-erythro-hex-5-en-2-ulofuranosyl)-9h-purin-6-amine
  • 9-(6-deoxy-beta-d-erythro-hex-5-enulofuranosyl)adenine
  • 9-(tetrahydro-3,4-dihydroxy-2-(hydroxymethyl)-5-methylene-2-furyl)adenine
  • 9h-purin-6-amine, 9-(6-deoxy-beta-d-erythro-hex-5-en-2-ulofuranosyl)-
  • a 14
  • adenine, 9-(6-deoxy-beta-d-erythro-hex-5-enulofuranosyl)-
  • adenine, 9-(tetrahydro-3,4-dihydroxy-2-(hydroxymethyl)-5-methylene-2-furyl)-
  • angustmycin a
  • antibiotic a 14
  • decomycin, u-7984, ai3-50816, angustmycin a
  • decoyinin
  • decoyinine
  • u-7984
CAS Number(s)
  • 1373-27-9
  • 2004-04-8
  • 21735-70-6
InChIKey UZSSGAOAYPICBZ-SOCHQFKDSA-N
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