(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate

C86H122Cl6N2O18SSi2 — CID 159417960

About (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate

(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate (PubChem CID 159417960) has the molecular formula C86H122Cl6N2O18SSi2 and a molecular weight of 1772.87 g/mol. Its IUPAC name is (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate.

Molecular Properties

• Compound Name: (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate
• PubChem CID: 159417960
• Molecular Formula: C86H122Cl6N2O18SSi2
• Molecular Weight: 1772.87 g/mol
• Exact Mass: 1768.61
• IUPAC Name: (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate
• SMILES: CCC1O[C@@H](O[Si](C)(C)C(C)(C)C(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)[C@@H](C)[C@@H]1O.CCC1O[C@@H](O[Si](C)(C)C(C)(C)C(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)[C@@H](C)[C@@H]1O[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](C)C1OCc1ccccc1.C[C@@H]1C(OCc2ccccc2)[C@@H](Sc2ccccc2)OC2COC(c3ccccc3)O[C@H]21
• InChI: InChI=1S/C40H58Cl3NO9Si.C27H28O4S.C19H36Cl3NO5Si/c1-10-29-32(25(4)31(44-38(45)48-23-40(41,42)43)36(49-29)53-54(8,9)39(6,7)24(2)3)52-37-34(46-21-27-17-13-11-14-18-27)26(5)33-30(50-37)22-47-35(51-33)28-19-15-12-16-20-28;1-19-24-23(18-29-26(31-24)21-13-7-3-8-14-21)30-27(32-22-15-9-4-10-16-22)25(19)28-17-20-11-5-2-6-12-20;1-9-13-15(24)12(4)14(23-17(25)26-10-19(20,21)22)16(27-13)28-29(7,8)18(5,6)11(2)3/h11-20,24-26,29-37H,10,21-23H2,1-9H3,(H,44,45);2-16,19,23-27H,17-18H2,1H3;11-16,24H,9-10H2,1-8H3,(H,23,25)/t25-,26+,29?,30?,31?,32+,33+,34?,35?,36+,37+;19-,23?,24-,25?,26?,27+;12-,13?,14?,15+,16+/m101/s1
• InChIKey: LPKCBDNWLFRGOM-PMYMUSHBSA-N
• XLogP: 20.41
• TPSA: 216.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.87
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate?

The IUPAC name of (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate (CID 159417960) is (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate.

What is the SMILES notation for (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate?

The canonical SMILES for (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate is CCC1O[C@@H](O[Si](C)(C)C(C)(C)C(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)[C@@H](C)[C@@H]1O.CCC1O[C@@H](O[Si](C)(C)C(C)(C)C(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)[C@@H](C)[C@@H]1O[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](C)C1OCc1ccccc1.C[C@@H]1C(OCc2ccccc2)[C@@H](Sc2ccccc2)OC2COC(c3ccccc3)O[C@H]21.

What is the InChIKey of (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate?

The InChIKey is LPKCBDNWLFRGOM-PMYMUSHBSA-N. The full InChI is InChI=1S/C40H58Cl3NO9Si.C27H28O4S.C19H36Cl3NO5Si/c1-10-29-32(25(4)31(44-38(45)48-23-40(41,42)43)36(49-29)53-54(8,9)39(6,7)24(2)3)52-37-34(46-21-27-17-13-11-14-18-27)26(5)33-30(50-37)22-47-35(51-33)28-19-15-12-16-20-28;1-19-24-23(18-29-26(31-24)21-13-7-3-8-14-21)30-27(32-22-15-9-4-10-16-22)25(19)28-17-20-11-5-2-6-12-20;1-9-13-15(24)12(4)14(23-17(25)26-10-19(20,21)22)16(27-13)28-29(7,8)18(5,6)11(2)3/h11-20,24-26,29-37H,10,21-23H2,1-9H3,(H,44,45);2-16,19,23-27H,17-18H2,1H3;11-16,24H,9-10H2,1-8H3,(H,23,25)/t25-,26+,29?,30?,31?,32+,33+,34?,35?,36+,37+;19-,23?,24-,25?,26?,27+;12-,13?,14?,15+,16+/m101/s1.

What are the key properties of (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate?

(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate has a molecular weight of 1772.87 g/mol, XLogP of 20.41, 26 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;2,2,2-trichloroethyl N-[(2S,4R,5S)-5-[[(6R,8S,8aS)-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-4-methyloxan-3-yl]carbamate;2,2,2-trichloroethyl N-[(2S,4R,5S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl]carbamate is sourced from PubChem (CID 159417960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).