tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane

C50H98O8Si4 — CID 25105650

IUPACtert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane
SMILESCO[C@@]1(C(C)(C)COCc2ccccc2)O[C@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H98O8Si4/c1-38(2)62(39(3)4,40(5)6)55-30-29-43-33-44(34-45(54-37-52-31-32-59(17,18)19)41(7)57-60(20,21)47(8,9)10)56-50(51-16,46(43)58-61(22,23)48(11,12)13)49(14,15)36-53-35-42-27-25-24-26-28-42/h24-29,38-41,44-46H,30-37H2,1-23H3/b43-29+/t41-,44+,45-,46+,50-/m1/s1
InChIKeyXJRSXRWROXRPJH-ZZIATJNXSA-N
MW939.67 g/mol
LogP14.37
Rot. Bonds25

About tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane (PubChem CID 25105650) has the molecular formula C50H98O8Si4 and a molecular weight of 939.67 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane
PubChem CID25105650
Molecular FormulaC50H98O8Si4
Molecular Weight939.67 g/mol
Exact Mass938.63
IUPAC Nametert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane
SMILESCO[C@@]1(C(C)(C)COCc2ccccc2)O[C@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H98O8Si4/c1-38(2)62(39(3)4,40(5)6)55-30-29-43-33-44(34-45(54-37-52-31-32-59(17,18)19)41(7)57-60(20,21)47(8,9)10)56-50(51-16,46(43)58-61(22,23)48(11,12)13)49(14,15)36-53-35-42-27-25-24-26-28-42/h24-29,38-41,44-46H,30-37H2,1-23H3/b43-29+/t41-,44+,45-,46+,50-/m1/s1
InChIKeyXJRSXRWROXRPJH-ZZIATJNXSA-N
XLogP14.37
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.67
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane with MolForge

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Related Compounds

(2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(2,2-dimethyl-1-phenylpropoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71719680
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]oxyoxan-2-yl]methyl acetate
CID 163044451
(6-Allyloxy-3,4,5-tribenzyloxy-tetrahydropyran-2-yl)methoxy-tert-butyl-dimethyl-silane
CID 361712
2H-Pyran-2-ol, 6-(1,1-dimethylethyl)dimethylsilyloxymethyltetrahydro-3-methoxy-5-(phenylmethoxy)-2-(2-propenyl)-, 2R-(2alpha,3beta,5beta,6alpha)-
CID 90469872
4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal
CID 131318
tert-butyl-[[(2R,3R,4S,5R)-3-fluoro-5-methoxy-4-phenylmethoxyoxolan-2-yl]methoxy]-dimethylsilane
CID 134934548
[(2S,4aS,7R,8S,8aS)-6-fluoro-7-methoxy-2-phenyl-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
CID 134936573
trimethyl-[2,2,2-trifluoro-1-[(2S,3R,4S,5S)-5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-1-phenylmethoxyethoxy]silane
CID 162411642
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-6-[(2S,3S)-3-phenyl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185878
(2S,4aS,6R,7S,8R,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 102377688
[(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane
CID 134882676
2-(Trimethylsilyl)ethyl 3-O-benzyl-beta-D-galactopyranoside
CID 10499411

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane (CID 25105650) is tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane is CO[C@@]1(C(C)(C)COCc2ccccc2)O[C@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane?
The InChIKey is XJRSXRWROXRPJH-ZZIATJNXSA-N. The full InChI is InChI=1S/C50H98O8Si4/c1-38(2)62(39(3)4,40(5)6)55-30-29-43-33-44(34-45(54-37-52-31-32-59(17,18)19)41(7)57-60(20,21)47(8,9)10)56-50(51-16,46(43)58-61(22,23)48(11,12)13)49(14,15)36-53-35-42-27-25-24-26-28-42/h24-29,38-41,44-46H,30-37H2,1-23H3/b43-29+/t41-,44+,45-,46+,50-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane has a molecular weight of 939.67 g/mol, XLogP of 14.37, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-4-[(2S,4E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-6-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-3-(2-trimethylsilylethoxymethoxy)butan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 25105650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).