Rigidin B

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Properties Simple | Detailed

Formula C20H15N3O6
IUPAC Name 6-(4-hydroxy-3-methoxy-benzoyl)-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-4a,5,6,7a-tetraide-2,4-dione
Molecular Mass 393.350 g·mol−1
Heat of Formation -695.3 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 423.37 Å 3
Surface Area 376.18 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione, 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-
  • 6-(4-hydroxy-3-methoxy-benzoyl)-5-(4-hydroxy-phenyl)-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
  • 6-(4-hydroxy-3-methoxy-benzoyl)-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[4,5-e]pyrimidine-2,4-dione
  • 6-(4-hydroxy-3-methoxy-benzoyl)-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[4,5-e]pyrimidine-2,4-quinone
  • 6-(4-hydroxy-3-methoxy-phenyl)carbonyl-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[4,5-e]pyrimidine-2,4-dione
  • 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[4,5-e]pyrimidine-2,4-dione
  • 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione
  • 6-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[4,5-e]pyrimidine-2,4-dione
InChIKey PXAKFGAZHUXFTE-UHFFFAOYSA-N
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