(1R,3S,5Z,7E,24R)-24-Fluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol
[CAS# 86677-62-5]

Identification

• Name: (1R,3S,5Z,7E,24R)-24-Fluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol
• Synonyms: 24-F-1,25(OH)2D3; 24-fluoro-1,25-dihydroxycholecalciferol; 24-Fluorocalcitriol
• Molecular Formula: C₂₇H₄₃FO₃
• Molecular Weight: 434.63
• CAS Registry Number: 86677-62-5
• SMILES: F[C@@H](C(O)(C)C)CC[C@@H](C)[C@H]3CC[C@H]2C(=C\C=C1/C(=C)[C@H](O)C[C@@H](O)C1)\CCC[C@@]23C
• InChI: 1S/C27H43FO3/c1-17(8-13-25(28)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(29)16-24(30)18(20)2/h9-10,17,21-25,29-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21+,22-,23+,24-,25-,27-/m1/s1
• InChIKey: IKIJCYTYFSKDCO-NTXAFIHPSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 579.067°C at 760 mmHg (Cal.)
• Flash point: 304.009°C (Cal.)