(3R,5Z,7E,17α)-3-Azido-9,10-Secocholesta-5,7,10-Trien-25-Ol

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Properties Simple | Detailed

Formula C27H44N3O
IUPAC Name (6r)-6-[(1s,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-azido-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
Molecular Mass 426.658 g·mol−1
Heat of Formation -58.0 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 583.82 Å 3
Surface Area 480.25 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(1s,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-azido-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
  • (6r)-6-[(1s,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-azido-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
  • (6r)-6-[(1s,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-azido-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
  • (6r)-6-[(1s,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-azido-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
  • 3-azido-9,10-secocholesta-5,7,10(19)-trien-25-ol (3beta,5z,7e)-
  • 3-dahv-d3
  • 3-deoxy-3-azido-25-hydroxycholecalciferol
  • 3-deoxy-3-azido-25-hydroxyvitamin d3
  • 9,10-secocholesta-5,7,10(19)-trien-25-ol, 3-azido-, (3beta,5z,7e)-
CAS Number(s)
  • 108345-00-2
InChIKey XSCCVONAMAFUQP-LQHRJJHOSA-N
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