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

Molecule SVG Image

Properties Simple | Detailed

Formula C22H21FO8
IUPAC Name (5s,5ar,8as,9r)-8a-fluoro-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5,5a,6,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 432.396 g·mol−1
Heat of Formation -1235.7 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 462.85 Å 3
Surface Area 382.04 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,5ar,8as,9r)-8a-fluoro-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5,5a,6,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • 2-fluoropodophyllotoxin
  • 5a-fluoro-9-hydroxy-5-(3,4,5-trimethoxy-phenyl)-5,8,8a,9-tetrahydro-5ah-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
InChIKey RZEPSVUNUYUBJW-ZYFHONAXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F