(1R,3S,5Z,7E,24R)-25-Fluoro-9,10-Secocholesta-5,7,10-Triene-1,3,24-Triol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H43FO3
IUPAC Name (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-5-fluoro-4-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 434.627 g·mol−1
Heat of Formation -915.1 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 573.88 Å 3
Surface Area 464.2 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-5-fluoro-4-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-5-fluoro-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,5r)-6-fluoro-5-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1s,3r,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,5r)-6-fluoro-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • 1,24-dihydroxy-25-fluorovitamin d3
  • 1alpha,24-dihydroxy-25-fluorovitamin d(3)
  • 9,10-secocholesta-5,7,10(19)-triene-1,3,24-triol, 25-fluoro-, (1alpha,3beta,5z,7e,24r)-
CAS Number(s)
  • 71699-09-7
InChIKey YCISVTDRTZUPLT-NTXAFIHPSA-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