[(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane

C43H60O8SSi2 — CID 10930790

IUPAC[(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@H]3CCCO[C@@H]3C[C@@H]2O[C@@H]1C[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H60O8SSi2/c1-41(2,3)53(7,8)51-38-28-37-36(27-35-34(48-37)25-18-26-46-35)49-39(38)29-43(52(44,45)31-19-12-9-13-20-31)40(50-43)30-47-54(42(4,5)6,32-21-14-10-15-22-32)33-23-16-11-17-24-33/h9-17,19-24,34-40H,18,25-30H2,1-8H3/t34-,35+,36-,37+,38-,39+,40-,43+/m0/s1
InChIKeyNBGATGHCMZNXIO-VQYPEHMYSA-N
MW793.18 g/mol
LogP7.41
Rot. Bonds11

About [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10930790) has the molecular formula C43H60O8SSi2 and a molecular weight of 793.18 g/mol. Its IUPAC name is [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10930790
Molecular FormulaC43H60O8SSi2
Molecular Weight793.18 g/mol
Exact Mass792.35
IUPAC Name[(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@H]3CCCO[C@@H]3C[C@@H]2O[C@@H]1C[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H60O8SSi2/c1-41(2,3)53(7,8)51-38-28-37-36(27-35-34(48-37)25-18-26-46-35)49-39(38)29-43(52(44,45)31-19-12-9-13-20-31)40(50-43)30-47-54(42(4,5)6,32-21-14-10-15-22-32)33-23-16-11-17-24-33/h9-17,19-24,34-40H,18,25-30H2,1-8H3/t34-,35+,36-,37+,38-,39+,40-,43+/m0/s1
InChIKeyNBGATGHCMZNXIO-VQYPEHMYSA-N
XLogP7.41
TPSA92.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.18
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

[(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11735083
[2-(benzenesulfonyl)-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-trimethylsilane
CID 21681678
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S)-3-triethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 101267916
tert-butyl-[[(1R,3S,5R,6S,8R,11S,13R,15S,16R,18S)-5-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-6-[[(2R,3R)-3-(4-methylphenyl)sulfonyloxiran-2-yl]methyl]-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-15-yl]oxy]-dimethylsilane
CID 134955100
[(4aS,6R,7S,9aR)-6-[[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-triethylsilane
CID 10930679
[(2R,3S)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10963486
[(4aS,6R,7S,9aR)-6-[[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-(4-methylphenyl)sulfonyloxiran-2-yl]methyl]-7-methyl-2,3,4,4a,6,8,9,9a-octahydropyrano[3,2-b]oxepin-7-yl]oxy-trimethylsilane
CID 10963724
[(2R,3S,4aR,8aS)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]oxy-tert-butyl-dimethylsilane
CID 11072647
[(1R,3S,5R,6S,8R,10S,12R,13S)-6-[[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-12-methyl-13-phenylmethoxy-12-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-yl]oxy-triethylsilane
CID 11194029
tert-butyl-diphenyl-[(2R,3S)-4-[(2R,3S)-3-(phenylsulfanylmethyl)oxiran-2-yl]-2,3-bis(trimethylsilyloxy)butoxy]silane
CID 11204548
[(4S,5R)-4-[[2-(benzenesulfonyl)-3-prop-2-enyloxiran-2-yl]methyl]-2,2-ditert-butyl-1,3,2-dioxasilinan-5-yl]oxy-triethylsilane
CID 46901480
[(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane
CID 71536024

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (CID 10930790) is [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@H]3CCCO[C@@H]3C[C@@H]2O[C@@H]1C[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is NBGATGHCMZNXIO-VQYPEHMYSA-N. The full InChI is InChI=1S/C43H60O8SSi2/c1-41(2,3)53(7,8)51-38-28-37-36(27-35-34(48-37)25-18-26-46-35)49-39(38)29-43(52(44,45)31-19-12-9-13-20-31)40(50-43)30-47-54(42(4,5)6,32-21-14-10-15-22-32)33-23-16-11-17-24-33/h9-17,19-24,34-40H,18,25-30H2,1-8H3/t34-,35+,36-,37+,38-,39+,40-,43+/m0/s1.
What are the key properties of [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 793.18 g/mol, XLogP of 7.41, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(benzenesulfonyl)-3-[[(1S,3R,5S,6R,8S,10R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10930790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).