[(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate

C94H134O13Si4 — CID 139249731

About [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate

[(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate (PubChem CID 139249731) has the molecular formula C94H134O13Si4 and a molecular weight of 1584.44 g/mol. Its IUPAC name is [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate.

Molecular Properties

• Compound Name: [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate
• PubChem CID: 139249731
• Molecular Formula: C94H134O13Si4
• Molecular Weight: 1584.44 g/mol
• Exact Mass: 1582.89
• IUPAC Name: [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate
• 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)/C=C/[C@H]1C/C(=C\CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C[C@]2(OC)O[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H](OC(C)=O)C2(C)C)O1
• InChI: InChI=1S/C94H134O13Si4/c1-23-108(24-2,25-3)107-86-73(58-62-99-110(88(9,10)11,80-48-36-28-37-49-80)81-50-38-29-39-51-81)66-76(67-84-70(4)103-92(19,20)106-84)105-94(86,97-22)90(15,16)60-56-74-64-72(57-61-98-109(87(6,7)8,78-44-32-26-33-45-78)79-46-34-27-35-47-79)65-77(102-74)69-93(96-21)91(17,18)85(101-71(5)95)68-75(104-93)59-63-100-111(89(12,13)14,82-52-40-30-41-53-82)83-54-42-31-43-55-83/h26-58,60,70,74-77,84-86H,23-25,59,61-69H2,1-22H3/b60-56+,72-57+,73-58+/t70-,74+,75-,76+,77+,84-,85+,86+,93+,94-/m1/s1
• InChIKey: QQEDUWUDYJWJPT-QTNSLYQISA-N
• XLogP: 18.02
• TPSA: 127.83 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 31
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.44
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate?

The IUPAC name of [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate (CID 139249731) is [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate.

What is the SMILES notation for [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate?

The canonical SMILES for [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate 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)/C=C/[C@H]1C/C(=C\CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C[C@]2(OC)O[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H](OC(C)=O)C2(C)C)O1.

What is the InChIKey of [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate?

The InChIKey is QQEDUWUDYJWJPT-QTNSLYQISA-N. The full InChI is InChI=1S/C94H134O13Si4/c1-23-108(24-2,25-3)107-86-73(58-62-99-110(88(9,10)11,80-48-36-28-37-49-80)81-50-38-29-39-51-81)66-76(67-84-70(4)103-92(19,20)106-84)105-94(86,97-22)90(15,16)60-56-74-64-72(57-61-98-109(87(6,7)8,78-44-32-26-33-45-78)79-46-34-27-35-47-79)65-77(102-74)69-93(96-21)91(17,18)85(101-71(5)95)68-75(104-93)59-63-100-111(89(12,13)14,82-52-40-30-41-53-82)83-54-42-31-43-55-83/h26-58,60,70,74-77,84-86H,23-25,59,61-69H2,1-22H3/b60-56+,72-57+,73-58+/t70-,74+,75-,76+,77+,84-,85+,86+,93+,94-/m1/s1.

What are the key properties of [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate?

[(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate has a molecular weight of 1584.44 g/mol, XLogP of 18.02, 31 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(E)-3-[(2S,3S,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate is sourced from PubChem (CID 139249731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).