(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol

C59H78O8Si2 — CID 11974176

IUPAC(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol
SMILESCOc1ccc(COC[C@H]2C/C(=C\CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](C[C@]3(OC)O[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](O)C3(C)C)O2)cc1
InChIInChI=1S/C59H78O8Si2/c1-56(2,3)68(51-23-15-11-16-24-51,52-25-17-12-18-26-52)64-37-35-46-39-49(66-50(40-46)44-63-43-45-31-33-47(61-9)34-32-45)42-59(62-10)58(7,8)55(60)41-48(67-59)36-38-65-69(57(4,5)6,53-27-19-13-20-28-53)54-29-21-14-22-30-54/h11-35,48-50,55,60H,36-44H2,1-10H3/b46-35-/t48-,49+,50-,55+,59+/m1/s1
InChIKeyVQUFNQKWLGOAOO-QVLCNFGMSA-N
MW971.44 g/mol
LogP10.14
Rot. Bonds19

About (2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol

(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol (PubChem CID 11974176) has the molecular formula C59H78O8Si2 and a molecular weight of 971.44 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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol.

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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol
PubChem CID11974176
Molecular FormulaC59H78O8Si2
Molecular Weight971.44 g/mol
Exact Mass970.52
IUPAC Name(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol
SMILESCOc1ccc(COC[C@H]2C/C(=C\CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](C[C@]3(OC)O[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](O)C3(C)C)O2)cc1
InChIInChI=1S/C59H78O8Si2/c1-56(2,3)68(51-23-15-11-16-24-51,52-25-17-12-18-26-52)64-37-35-46-39-49(66-50(40-46)44-63-43-45-31-33-47(61-9)34-32-45)42-59(62-10)58(7,8)55(60)41-48(67-59)36-38-65-69(57(4,5)6,53-27-19-13-20-28-53)54-29-21-14-22-30-54/h11-35,48-50,55,60H,36-44H2,1-10H3/b46-35-/t48-,49+,50-,55+,59+/m1/s1
InChIKeyVQUFNQKWLGOAOO-QVLCNFGMSA-N
XLogP10.14
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.44
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol with MolForge

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Related Compounds

(4S)-5-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-1-[(2S,4Z,6R)-6-[(4-methoxyphenyl)methoxymethyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3,3-dimethyl-4-phenylmethoxypentan-2-one
CID 139249843
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
prop-2-enyl (3R)-3-hydroxy-4-[(2R,4S,6S)-6-methoxy-6-[[(2S,4Z,6R)-6-[(4-methoxyphenyl)methoxymethyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]methyl]-5,5-dimethyl-4-phenylmethoxyoxan-2-yl]butanoate
CID 53473783
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
tert-butyl 2-[(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxy-3,3-dimethyloxan-2-yl]acetate
CID 10918604
[(2R,4Z,6S)-6-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]oxan-2-yl]methanol
CID 11320745
tert-butyl-[[(2S,3S)-3-[3-[(4-methoxyphenyl)methoxy]prop-1-en-2-yl]oxiran-2-yl]methoxy]-diphenylsilane
CID 11283212
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
CID 71545715
(S)-[2-[[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-1,3-dithian-2-yl]-[(4R,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
CID 134970302
(1R,2S)-1-[(3aS,4R,6S,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol
CID 102112676
tert-butyl-[2-[(2R,3R,4R,5R)-2-(iodomethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-3-yl]ethoxy]-diphenylsilane
CID 134844367

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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol?
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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol (CID 11974176) is (2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol.
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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol?
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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol is COc1ccc(COC[C@H]2C/C(=C\CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](C[C@]3(OC)O[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](O)C3(C)C)O2)cc1.
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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol?
The InChIKey is VQUFNQKWLGOAOO-QVLCNFGMSA-N. The full InChI is InChI=1S/C59H78O8Si2/c1-56(2,3)68(51-23-15-11-16-24-51,52-25-17-12-18-26-52)64-37-35-46-39-49(66-50(40-46)44-63-43-45-31-33-47(61-9)34-32-45)42-59(62-10)58(7,8)55(60)41-48(67-59)36-38-65-69(57(4,5)6,53-27-19-13-20-28-53)54-29-21-14-22-30-54/h11-35,48-50,55,60H,36-44H2,1-10H3/b46-35-/t48-,49+,50-,55+,59+/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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol?
(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol has a molecular weight of 971.44 g/mol, XLogP of 10.14, 19 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol is sourced from PubChem (CID 11974176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).