[(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

C64H96O7S2Si3 — CID 11320745

IUPAC[(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
SMILESCC1(C)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C2(C[C@@H]3C/C(=C/CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](CO)O3)SCCCS2)O1
InChIInChI=1S/C64H96O7S2Si3/c1-59(2,3)74(14,15)71-58(46-51-45-50(69-63(12,13)70-51)38-40-67-76(61(7,8)9,56-33-24-18-25-34-56)57-35-26-19-27-36-57)62(10,11)64(72-41-28-42-73-64)47-52-43-49(44-53(48-65)68-52)37-39-66-75(60(4,5)6,54-29-20-16-21-30-54)55-31-22-17-23-32-55/h16-27,29-37,50-53,58,65H,28,38-48H2,1-15H3/b49-37-/t50-,51-,52+,53-,58+/m1/s1
InChIKeyRZQBGAWTTXDHAV-ZHPNNNFXSA-N
MW1125.86 g/mol
LogP13.67
Rot. Bonds20

About [(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

[(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 (PubChem CID 11320745) has the molecular formula C64H96O7S2Si3 and a molecular weight of 1125.86 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID11320745
Molecular FormulaC64H96O7S2Si3
Molecular Weight1125.86 g/mol
Exact Mass1124.59
IUPAC Name[(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
SMILESCC1(C)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C2(C[C@@H]3C/C(=C/CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](CO)O3)SCCCS2)O1
InChIInChI=1S/C64H96O7S2Si3/c1-59(2,3)74(14,15)71-58(46-51-45-50(69-63(12,13)70-51)38-40-67-76(61(7,8)9,56-33-24-18-25-34-56)57-35-26-19-27-36-57)62(10,11)64(72-41-28-42-73-64)47-52-43-49(44-53(48-65)68-52)37-39-66-75(60(4,5)6,54-29-20-16-21-30-54)55-31-22-17-23-32-55/h16-27,29-37,50-53,58,65H,28,38-48H2,1-15H3/b49-37-/t50-,51-,52+,53-,58+/m1/s1
InChIKeyRZQBGAWTTXDHAV-ZHPNNNFXSA-N
XLogP13.67
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.86
LogP ≤ 513.67
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 [(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 with MolForge

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Related Compounds

(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
(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 11735255
(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
(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
tert-butyl-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
(2R)-4-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-1-ol
CID 42600017
tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
CID 71545715
tert-butyl-[2-[(2R,3R,6S)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 25258406
tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 25258627
tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
CID 71545551
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC1(C)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C2(C[C@@H]3C/C(=C/CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](CO)O3)SCCCS2)O1.
What is the InChIKey of [(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?
The InChIKey is RZQBGAWTTXDHAV-ZHPNNNFXSA-N. The full InChI is InChI=1S/C64H96O7S2Si3/c1-59(2,3)74(14,15)71-58(46-51-45-50(69-63(12,13)70-51)38-40-67-76(61(7,8)9,56-33-24-18-25-34-56)57-35-26-19-27-36-57)62(10,11)64(72-41-28-42-73-64)47-52-43-49(44-53(48-65)68-52)37-39-66-75(60(4,5)6,54-29-20-16-21-30-54)55-31-22-17-23-32-55/h16-27,29-37,50-53,58,65H,28,38-48H2,1-15H3/b49-37-/t50-,51-,52+,53-,58+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 1125.86 g/mol, XLogP of 13.67, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 11320745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).