(5R,5Ar,8As,9S)-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-9-[(4-Nitrophenyl)Amino]-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

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Properties Simple | Detailed

Formula C27H24N2O9
IUPAC Name (5s,5as,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 520.487 g·mol−1
Heat of Formation -811.3 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 560.13 Å 3
Surface Area 461.19 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • (5r-(5alpha,5abeta,8aalpha,9beta))-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one
  • (5s,5as,8ar,9r)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-[(4-nitrophenyl)amino]-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • (5s,5as,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)amino]-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, (5r-(5alpha,5abeta,8aalpha,9beta))-
  • furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[(4-nitrophenyl)amino]-, (5r,5ar,8as,9s)-
CAS Number(s)
  • 127882-73-9
InChIKey DLROLUIVVKTFPW-LVEBQJTPSA-N
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