(2S,3S,5R)-3-Hydroxy-N-[2-(1H-Indol-3-Yl)Ethyl]-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furancarboxamide

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Properties Simple | Detailed

Formula C20H22N4O5
IUPAC Name (2s,3s,5r)-3-hydroxy-n-[2-(1h-indol-3-yl)ethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carboxamide
Molecular Mass 398.412 g·mol−1
Heat of Formation -759.1 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 464.97 Å 3
Surface Area 339.16 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,5r)-3-hydroxy-n-[2-(1h-indol-3-yl)ethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofurancarboxamide
  • (2s,3s,5r)-3-hydroxy-n-[2-(1h-indol-3-yl)ethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolane-2-carboxamide
  • (2s,3s,5r)-3-hydroxy-n-[2-(1h-indol-3-yl)ethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-carboxamide
  • (2s,3s,5r)-3-hydroxy-n-[2-(1h-indol-3-yl)ethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
  • (2s,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-n-[2-(1h-indol-3-yl)ethyl]tetrahydrofuran-2-carboxamide
  • (5'-(tryptaminocarbonyl)-2'-deoxyribofuranosyl)thymine
  • 5-tctd
  • beta-d-erythro-pentofuranuronamide, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-n-(2-(1h-indol-3-yl)ethyl)-
CAS Number(s)
  • 76500-11-3
InChIKey DILDXMFFZQNCPJ-BBWFWOEESA-N
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