(5R,5Ar,8As,9S)-9-{[3-(Dimethylamino)Propyl]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 C26H32N2O7
IUPAC Name (5s,5as,8ar,9r)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular Mass 484.541 g·mol−1
Heat of Formation -895.5 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 568.26 Å 3
Surface Area 469.68 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8as,9s)-9-(3-dimethylaminopropylamino)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r,5ar,8as,9s)-9-(3-dimethylaminopropylamino)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • 4'-o-demethyl-4-((3''-(dimethylamino)propyl)amino)-4-desoxypodophyllotoxin
  • 9-((3-(dimethylamino)propyl)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))-
  • ddpdptx
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 9-((3-(dimethylamino)propyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r-(5alpha,5abeta,8aalpha,9beta))-
CAS Number(s)
  • 152833-16-4
InChIKey YPFPNLDTVOTTIA-QQJYNPJZSA-N
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