3-Benzyl-5-Methyl-1-(β-D-Ribofuranosyl)Pyrido[2,3-D]Pyrimidine-2,4(1H,3H)-Dione

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Properties Simple | Detailed

Formula C20H21N3O6
IUPAC Name 3-benzyl-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-dione
Molecular Mass 399.397 g·mol−1
Heat of Formation -873.9 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 439.88 Å 3
Surface Area 367.77 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-3-(phenylmethyl)pyrido[3,2-e]pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(phenylmethyl)pyrido[3,2-e]pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-3-(phenylmethyl)pyrido[3,2-e]pyrimidine-2,4-dione
  • 3-(benzyl)-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-quinone
  • 3-benzyl-5-methyl-3-(beta-ribofuranosyl)pyrido(2,3-d)pyrimidine-2,4(1h,3h)dione
  • pyrido(2,3-d)pyrimidine-2,4(1h,3h)-dione, 5-methyl-3-(phenylmethyl)-1-beta-d-ribofuranosyl-
  • ti 79
  • ti-79
CAS Number(s)
  • 137103-31-2
InChIKey QEXOXVQSTPLAMK-NVQRDWNXSA-N
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