[(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane

C47H70O8SSi2 — CID 11158739

About [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane

[(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane (PubChem CID 11158739) has the molecular formula C47H70O8SSi2 and a molecular weight of 851.31 g/mol. Its IUPAC name is [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane
• PubChem CID: 11158739
• Molecular Formula: C47H70O8SSi2
• Molecular Weight: 851.31 g/mol
• Exact Mass: 850.43
• IUPAC Name: [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane
• SMILES: CC[Si](CC)(CC)O[C@H]1/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C[C@H]2OC(C)(C)O[C@@H]2C)O[C@@]1(OC)C(C)(C)CS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C47H70O8SSi2/c1-13-57(14-2,15-3)55-43-37(31-32-51-58(44(5,6)7,40-27-21-17-22-28-40)41-29-23-18-24-30-41)33-38(34-42-36(4)52-46(10,11)54-42)53-47(43,50-12)45(8,9)35-56(48,49)39-25-19-16-20-26-39/h16-31,36,38,42-43H,13-15,32-35H2,1-12H3/b37-31+/t36-,38+,42-,43+,47-/m1/s1
• InChIKey: GMPLRWUOCWMAKT-JQRZFBQOSA-N
• XLogP: 9.44
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.31
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane?

The IUPAC name of [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane (CID 11158739) is [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane.

What is the SMILES notation for [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane?

The canonical SMILES for [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H]1/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C[C@H]2OC(C)(C)O[C@@H]2C)O[C@@]1(OC)C(C)(C)CS(=O)(=O)c1ccccc1.

What is the InChIKey of [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane?

The InChIKey is GMPLRWUOCWMAKT-JQRZFBQOSA-N. The full InChI is InChI=1S/C47H70O8SSi2/c1-13-57(14-2,15-3)55-43-37(31-32-51-58(44(5,6)7,40-27-21-17-22-28-40)41-29-23-18-24-30-41)33-38(34-42-36(4)52-46(10,11)54-42)53-47(43,50-12)45(8,9)35-56(48,49)39-25-19-16-20-26-39/h16-31,36,38,42-43H,13-15,32-35H2,1-12H3/b37-31+/t36-,38+,42-,43+,47-/m1/s1.

What are the key properties of [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane?

[(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane has a molecular weight of 851.31 g/mol, XLogP of 9.44, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4E,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-3-yl]oxy-triethylsilane is sourced from PubChem (CID 11158739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).