[(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate

C86H88O25Si — CID 11457622

About [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate

[(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate (PubChem CID 11457622) has the molecular formula C86H88O25Si and a molecular weight of 1549.71 g/mol. Its IUPAC name is [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate.

Molecular Properties

• Compound Name: [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate
• PubChem CID: 11457622
• Molecular Formula: C86H88O25Si
• Molecular Weight: 1549.71 g/mol
• Exact Mass: 1548.54
• IUPAC Name: [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@H](O[C@@H]4[C@@H](OC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)O[C@@H]5CO[C@@H](c6ccccc6)O[C@@H]45)O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]34)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12
• InChI: InChI=1S/C86H88O25Si/c1-86(2,3)112(4,5)111-70-66-61(49-95-81(106-66)57-44-28-13-29-45-57)98-84(73(70)102-76(90)52-34-18-8-19-35-52)107-67-62(87)82(96-58-46-92-78(103-63(58)67)54-38-22-10-23-39-54)108-68-64-59(47-93-79(104-64)55-40-24-11-25-41-55)97-83(71(68)100-74(88)50-30-14-6-15-31-50)109-69-65-60(48-94-80(105-65)56-42-26-12-27-43-56)99-85(110-77(91)53-36-20-9-21-37-53)72(69)101-75(89)51-32-16-7-17-33-51/h6-45,58-73,78-85,87H,46-49H2,1-5H3/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71-,72-,73-,78-,79-,80-,81-,82+,83+,84+,85-/m1/s1
• InChIKey: CEGGVIKLQAWGBH-MEYIDUJQSA-N
• XLogP: 11.78
• TPSA: 273.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.71
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate?

The IUPAC name of [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate (CID 11457622) is [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate.

What is the SMILES notation for [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate?

The canonical SMILES for [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@H](O[C@@H]4[C@@H](OC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)O[C@@H]5CO[C@@H](c6ccccc6)O[C@@H]45)O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]34)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12.

What is the InChIKey of [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate?

The InChIKey is CEGGVIKLQAWGBH-MEYIDUJQSA-N. The full InChI is InChI=1S/C86H88O25Si/c1-86(2,3)112(4,5)111-70-66-61(49-95-81(106-66)57-44-28-13-29-45-57)98-84(73(70)102-76(90)52-34-18-8-19-35-52)107-67-62(87)82(96-58-46-92-78(103-63(58)67)54-38-22-10-23-39-54)108-68-64-59(47-93-79(104-64)55-40-24-11-25-41-55)97-83(71(68)100-74(88)50-30-14-6-15-31-50)109-69-65-60(48-94-80(105-65)56-42-26-12-27-43-56)99-85(110-77(91)53-36-20-9-21-37-53)72(69)101-75(89)51-32-16-7-17-33-51/h6-45,58-73,78-85,87H,46-49H2,1-5H3/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71-,72-,73-,78-,79-,80-,81-,82+,83+,84+,85-/m1/s1.

What are the key properties of [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate?

[(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate has a molecular weight of 1549.71 g/mol, XLogP of 11.78, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4aR,6S,7R,8S,8aR)-8-[[(2R,4aR,6S,7R,8R,8aR)-8-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoyloxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,4aR,6R,7R,8S,8aR)-6,7-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate is sourced from PubChem (CID 11457622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).