(5R,5Ar,8As,9S)-9-[(4-Fluorophenyl)Amino]-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-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 C27H24FNO7
IUPAC Name 4-[(5s,5as,8ar,9r)-5-[(4-fluorobenzene-3,5-diid-1-yl)amino]-8-oxo-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-di(methoxy)phenolate
Molecular Mass 493.480 g·mol−1
Heat of Formation -969.3 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 541.76 Å 3
Surface Area 447.29 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (5ar,9s)-9-[(4-fluorophenyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one
  • (5r-(5alpha,5abeta,8aalpha,9beta))-9-((4-fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one
  • (5s,5as,8ar,9r)-5-[(4-fluorophenyl)amino]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • (5s,5as,8ar,9r)-5-[(4-fluorophenyl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • 1,3-dioxol-6(5h)- one der.
  • 4'-o-demethyl-4-(4''-fluoroanilino)-4-desoxypodophyllotoxin
  • 9-((4-fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-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, 9-((4-fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r-(5alpha,5abeta,8abeta,9beta))-
  • npf-etoposide
CAS Number(s)
  • 125830-36-6
InChIKey OWZJVOYADMZDSO-LVEBQJTPSA-N
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