O-(11-(5-Cholesten-3beta-yloxy)3,6,9-trioxaundecyl) O-(2-(beta-D-galactopyranosyloxy)ethyl) phosphorothioate
[CAS# 145307-64-8]

Identification

• Name: O-(11-(5-Cholesten-3beta-yloxy)3,6,9-trioxaundecyl) O-(2-(beta-D-galactopyranosyloxy)ethyl) phosphorothioate
• Synonyms: (2R,3R,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(3R,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy-Hydroxy-Phosphinothioyl]Oxyethoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(3R,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy-Hydroxyphosphinothioyl]Oxyethoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(3R,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy-Hydroxy-Thiophosphoryl]Oxyethoxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₄₃H₇₇O₁₃PS
• Molecular Weight: 865.11
• CAS Registry Number: 145307-64-8
• SMILES: [C@H]5(OCCO[P](OCCOCCOCCOCCO[C@@H]4CC[C@]2(C(=CCC3C1CC[C@H]([C@@H](CCCC(C)C)C)[C@@]1(C)CCC23)C4)C)(O)=S)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O5)CO
• InChI: 1S/C43H77O13PS/c1-29(2)7-6-8-30(3)34-11-12-35-33-10-9-31-27-32(13-15-42(31,4)36(33)14-16-43(34,35)5)52-23-21-50-19-17-49-18-20-51-22-25-54-57(48,58)55-26-24-53-41-40(47)39(46)38(45)37(28-44)56-41/h9,29-30,32-41,44-47H,6-8,10-28H2,1-5H3,(H,48,58)/t30-,32-,33?,34-,35?,36?,37-,38+,39+,40-,41-,42+,43-,57?/m1/s1
• InChIKey: FKDFLTHDUSPADA-FSDBGDPESA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 879.376°C at 760 mmHg (Cal.)
• Flash point: 485.629°C (Cal.)