ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane

C66H89BF3NO22SSi — CID 157160343

About ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane

ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane (PubChem CID 157160343) has the molecular formula C66H89BF3NO22SSi and a molecular weight of 1376.38 g/mol. Its IUPAC name is ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane.

Molecular Properties

• Compound Name: ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane
• PubChem CID: 157160343
• Molecular Formula: C66H89BF3NO22SSi
• Molecular Weight: 1376.38 g/mol
• Exact Mass: 1375.54
• IUPAC Name: ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane
• SMILES: CC(=O)OC1C[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.CCOCC.COC(=O)[C@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.FB(F)F
• InChI: InChI=1S/C47H57NO13SSi.C15H22O8.C4H10O.BF3/c1-28(49)56-40-41(57-29(2)50)43(58-30(3)51)46(60-42(40)45(53)54-7)59-34-19-15-32(16-20-34)44-38(36-22-21-35(27-37(36)62-44)61-63(8,9)47(4,5)6)39(52)31-13-17-33(18-14-31)55-26-25-48-23-11-10-12-24-48;1-7-6-12(20-8(2)16)14(22-10(4)18)15(23-11(5)19)13(7)21-9(3)17;1-3-5-4-2;2-1(3)4/h13-22,27,40-43,46H,10-12,23-26H2,1-9H3;7,12-15H,6H2,1-5H3;3-4H2,1-2H3;/t40-,41-,42-,43+,46+;7-,12?,13+,14-,15-;;/m00../s1
• InChIKey: AMHLILDGFYIPGT-OLBPODJPSA-N
• XLogP: 10.80
• TPSA: 276.86 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.38
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane?

The IUPAC name of ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane (CID 157160343) is ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane.

What is the SMILES notation for ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane?

The canonical SMILES for ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane is CC(=O)OC1C[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.CCOCC.COC(=O)[C@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.FB(F)F.

What is the InChIKey of ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane?

The InChIKey is AMHLILDGFYIPGT-OLBPODJPSA-N. The full InChI is InChI=1S/C47H57NO13SSi.C15H22O8.C4H10O.BF3/c1-28(49)56-40-41(57-29(2)50)43(58-30(3)51)46(60-42(40)45(53)54-7)59-34-19-15-32(16-20-34)44-38(36-22-21-35(27-37(36)62-44)61-63(8,9)47(4,5)6)39(52)31-13-17-33(18-14-31)55-26-25-48-23-11-10-12-24-48;1-7-6-12(20-8(2)16)14(22-10(4)18)15(23-11(5)19)13(7)21-9(3)17;1-3-5-4-2;2-1(3)4/h13-22,27,40-43,46H,10-12,23-26H2,1-9H3;7,12-15H,6H2,1-5H3;3-4H2,1-2H3;/t40-,41-,42-,43+,46+;7-,12?,13+,14-,15-;;/m00../s1.

What are the key properties of ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane?

ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane has a molecular weight of 1376.38 g/mol, XLogP of 10.80, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxyethane;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[6-[tert-butyl(dimethyl)silyl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylate;[(2S,3S,4R,5S)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate;trifluoroborane is sourced from PubChem (CID 157160343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).