Mrs-1706

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Properties Simple | Detailed

Formula C23H32N5O5++
IUPAC Name [2-[4-(2,6-dioxo-1,3-dipropyl-purine-7,9-diium-8-yl)phenoxy]acetyl]-isopropylidene-ammonium; methane; hydrate
Molecular Mass 458.531 g·mol−1
Heat of Formation 2772.5 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 382.41 Å 3
Surface Area 390.36 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]-n-(4-ethanoylphenyl)ethanamide
  • mrs 1706
  • n-(4-acetylphenyl)-2-[4-(2,6-diketo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
  • n-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
  • tocris-1584
InChIKey ZKUCFFYOQOJLGT-UHFFFAOYSA-N
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