24-Hydroxycalcitriol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H44O4
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4,5-dihydroxy-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 432.636 g·mol−1
Heat of Formation -918.6 ± 16.7 kJ·mol−1
Dipole Moment 1.24 ± 1.08 D
Volume 577.92 Å 3
Surface Area 458.62 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (1-alpha,3-beta,5z,7e,24r)-9,10-secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4,5-dihydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,4r)-4,5-dihydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,5r)-5,6-dihydroxy-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
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,5r)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (1s,3r,5z,7e,24r,25)-9,10-secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol
  • (24r)-24-hydroxycalcitriol
  • 1-alpha,24(r),25-trihydroxyvitamin d3
  • 1alpha,24r,25(oh)3d3
  • 1alpha,24r,25-trihydroxycholecalciferol
  • 1alpha,24r,25-trihydroxyvitamin d3
  • 9,10-secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol, (1-alpha,3-beta,5z,7e,24r)-
  • calcitetrol
  • ro 21-7729
CAS Number(s)
  • 56142-94-0
InChIKey WFZKUWGUJVKMHC-UKBUZQLGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O