(2R,3R,4R,5S)-2-(6-Amino-9H-Purin-9-Yl)-5-(Ethylcarbamoyl)Tetrahydrofuran-3,4-Diyl Dinitrate

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Properties Simple | Detailed

Formula C12H14N8O8
IUPAC Name [(2r,3r,4r,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-(ethylcarbamoyl)-4-nitrooxy-tetrahydrofuran-3-yl] nitrate
Molecular Mass 398.288 g·mol−1
Heat of Formation -260.5 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 413.87 Å 3
Surface Area 358.53 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-di-o-nitro-(5'-n-ethylcarboxamido)adenosine
  • 2',3'-di-o-nitroadenosine-5'-(n-ethylcarboxamide)
  • 2',3'-dinitro-neca
  • [(2r,3r,4r,5s)-2-(6-aminopurin-9-yl)-5-(ethylcarbamoyl)-4-nitrooxy-oxolan-3-yl] nitrate
  • [(2r,3r,4r,5s)-2-(6-aminopurin-9-yl)-5-(ethylcarbamoyl)-4-nitrooxy-tetrahydrofuran-3-yl] nitrate
  • [(2r,3r,4r,5s)-2-(6-aminopurin-9-yl)-5-(ethylcarbamoyl)-4-nitrooxyoxolan-3-yl] nitrate
  • b 744-99
  • b-744-99
  • beta-d-ribofuranuronamide, 1-(6-amino-9h-purin-9-yl)-1-deoxy-n-ethyl-, 2,3-dinitrate
  • dineca
  • nitric acid [(2r,3r,4r,5s)-2-(6-aminopurin-9-yl)-5-(ethylcarbamoyl)-4-nitrooxy-tetrahydrofuran-3-yl] ester
CAS Number(s)
  • 61014-07-1
InChIKey CHMXERRSDPKARP-BSFVXNEUSA-N
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