2,6-Dichloro-1-[(1R,4R,5R,6S)-5,6-Dihydroxy-3-(Hydroxymethyl)-4-Methoxy-2-Cyclohexen-1-Yl]-5-Hydroxy-8-Methylchromeno[2,3-B]Pyrrol-4(1H)-One

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Properties Simple | Detailed

Formula C20H20Cl2NO7+
IUPAC Name 2,6-dichloro-1-[(1r,4r,5r,6s)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-cyclohex-2-en-1-yl]-5-hydroxy-8-methyl-chromeno[2,3-b]pyrrole-1,9-diium-4-one
Molecular Mass 457.281 g·mol−1
Heat of Formation -1015.7 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 469.13 Å 3
Surface Area 373.33 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzopyrano(2,3-b)pyrrol-4(1h)-one, 2,6-dichloro-1-(5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-2-cyclohexen-1-yl)-5-hydroxy-8-methyl-
  • 2,6-dichloro-1-[(1r,4r,5r,6s)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-1-cyclohex-2-enyl]-5-hydroxy-8-methyl-4-chromeno[2,3-b]pyrrolone
  • 2,6-dichloro-1-[(1r,4r,5r,6s)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-1-cyclohex-2-enyl]-5-hydroxy-8-methyl-chromeno[2,3-b]pyrrol-4-one
  • 2,6-dichloro-1-[(1r,4r,5r,6s)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-1-cyclohex-2-enyl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one
  • 2,6-dichloro-1-[(1r,4r,5r,6s)-5,6-dihydroxy-4-methoxy-3-methylol-1-cyclohex-2-enyl]-5-hydroxy-8-methyl-chromeno[2,3-b]pyrrol-4-one
  • antibiotic mi 178-34f18a2
  • pyralomicin 1a
CAS Number(s)
  • 139636-03-6
InChIKey JPPZZIRKTBZEAJ-JLBIYAHBSA-N
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