(2E)-N-[(1R,2R)-1,3-Dihydroxy-1-(4-Nitrophenyl)-2-Propanyl]-3-(6-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)Acrylamide

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Properties Simple | Detailed

Formula C17H18N4O7
IUPAC Name (e)-n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide
Molecular Mass 390.347 g·mol−1
Heat of Formation -790.5 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 434.45 Å 3
Surface Area 383.64 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,4-diketo-6-methyl-1h-pyrimidin-5-yl)-n-[(1r,2r)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]acrylamide
  • (e)-n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)prop-2-enamide
  • (e)-n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)prop-2-enamide
  • 2-propenamide, n-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (r-(r*,r*-(e)))-
  • sparsophenicol
CAS Number(s)
  • 82647-22-1
InChIKey UUDNPQSIQPUZPU-ZNTRNPIHSA-N
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