[(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol

C75H120O9Si5 — CID 139249713

IUPAC[(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol
SMILESCC[Si](CC)(CC)O[C@H]1/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)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](CO)O1
InChIInChI=1S/C75H120O9Si5/c1-24-87(25-2,26-3)84-69-60(49-52-79-89(73(14,15)16,66-43-35-29-36-44-66)67-45-37-30-38-46-67)55-62(56-68(83-86(22,23)71(8,9)10)58(4)82-85(20,21)70(5,6)7)81-75(69,77-19)74(17,18)50-47-61-53-59(54-63(57-76)80-61)48-51-78-88(72(11,12)13,64-39-31-27-32-40-64)65-41-33-28-34-42-65/h27-50,58,61-63,68-69,76H,24-26,51-57H2,1-23H3/b50-47+,59-48+,60-49+/t58-,61+,62+,63+,68-,69+,75-/m1/s1
InChIKeyGFSRSTPQMNJYBV-RAILNNHVSA-N
MW1306.21 g/mol
LogP16.83
Rot. Bonds27

About [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol

[(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol (PubChem CID 139249713) has the molecular formula C75H120O9Si5 and a molecular weight of 1306.21 g/mol. Its IUPAC name is [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol
PubChem CID139249713
Molecular FormulaC75H120O9Si5
Molecular Weight1306.21 g/mol
Exact Mass1304.78
IUPAC Name[(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol
SMILESCC[Si](CC)(CC)O[C@H]1/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)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](CO)O1
InChIInChI=1S/C75H120O9Si5/c1-24-87(25-2,26-3)84-69-60(49-52-79-89(73(14,15)16,66-43-35-29-36-44-66)67-45-37-30-38-46-67)55-62(56-68(83-86(22,23)71(8,9)10)58(4)82-85(20,21)70(5,6)7)81-75(69,77-19)74(17,18)50-47-61-53-59(54-63(57-76)80-61)48-51-78-88(72(11,12)13,64-39-31-27-32-40-64)65-41-33-28-34-42-65/h27-50,58,61-63,68-69,76H,24-26,51-57H2,1-23H3/b50-47+,59-48+,60-49+/t58-,61+,62+,63+,68-,69+,75-/m1/s1
InChIKeyGFSRSTPQMNJYBV-RAILNNHVSA-N
XLogP16.83
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001306.21
LogP ≤ 516.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol?
The IUPAC name of [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol (CID 139249713) is [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol.
What is the SMILES notation for [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol?
The canonical SMILES for [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol 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](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)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](CO)O1.
What is the InChIKey of [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol?
The InChIKey is GFSRSTPQMNJYBV-RAILNNHVSA-N. The full InChI is InChI=1S/C75H120O9Si5/c1-24-87(25-2,26-3)84-69-60(49-52-79-89(73(14,15)16,66-43-35-29-36-44-66)67-45-37-30-38-46-67)55-62(56-68(83-86(22,23)71(8,9)10)58(4)82-85(20,21)70(5,6)7)81-75(69,77-19)74(17,18)50-47-61-53-59(54-63(57-76)80-61)48-51-78-88(72(11,12)13,64-39-31-27-32-40-64)65-41-33-28-34-42-65/h27-50,58,61-63,68-69,76H,24-26,51-57H2,1-23H3/b50-47+,59-48+,60-49+/t58-,61+,62+,63+,68-,69+,75-/m1/s1.
What are the key properties of [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol?
[(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol has a molecular weight of 1306.21 g/mol, XLogP of 16.83, 27 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4E,6R)-6-[(E)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-3-methylbut-1-enyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol is sourced from PubChem (CID 139249713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).