1-({[(2S)-1-Amino-3-Hydroxy-2-Propanyl]Oxy}Methyl)-5-Benzyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C15H19N3O4++
IUPAC Name 1-[[(1s)-1-(aminomethyl)-2-hydroxy-ethoxy]methyl]-5-benzyl-pyrimidine-2,4-dione
Molecular Mass 305.329 g·mol−1
Heat of Formation -604.5 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 365.07 Å 3
Surface Area 293.76 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[(1s)-1-(aminomethyl)-2-hydroxy-ethoxy]methyl]-5-(benzyl)pyrimidine-2,4-quinone
  • 1-[[(1s)-1-(aminomethyl)-2-hydroxy-ethoxy]methyl]-5-(phenylmethyl)pyrimidine-2,4-dione
  • 1-[[(1s)-1-(aminomethyl)-2-hydroxyethoxy]methyl]-5-(phenylmethyl)pyrimidine-2,4-dione
  • 1-[[(2s)-1-amino-3-hydroxy-propan-2-yl]oxymethyl]-5-(phenylmethyl)pyrimidine-2,4-dione
  • 1-[[(2s)-1-amino-3-hydroxypropan-2-yl]oxymethyl]-5-(phenylmethyl)pyrimidine-2,4-dione
InChIKey DMNOZBZCJLNCRV-ZDUSSCGKSA-N
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