tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane

C35H62O7SSi2 — CID 134955102

IUPACtert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
SMILESCc1ccc(S(=O)(=O)[C@@]2(C[C@H]3O[C@H](C)[C@@H](C)C[C@]3(C)O[Si](C)(C)C)O[C@@H]2C[C@@H]2O[C@H](C)[C@@H](C)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C35H62O7SSi2/c1-23-15-17-28(18-16-23)43(36,37)35(22-32-34(9,42-44(10,11)12)21-25(3)27(5)39-32)31(40-35)20-29-30(19-24(2)26(4)38-29)41-45(13,14)33(6,7)8/h15-18,24-27,29-32H,19-22H2,1-14H3/t24-,25-,26+,27+,29-,30+,31+,32+,34-,35+/m0/s1
InChIKeyXZAZNXCFDVXQMV-JVVCTOPPSA-N
MW683.11 g/mol
LogP8.27
Rot. Bonds10

About tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane (PubChem CID 134955102) has the molecular formula C35H62O7SSi2 and a molecular weight of 683.11 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
PubChem CID134955102
Molecular FormulaC35H62O7SSi2
Molecular Weight683.11 g/mol
Exact Mass682.38
IUPAC Nametert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
SMILESCc1ccc(S(=O)(=O)[C@@]2(C[C@H]3O[C@H](C)[C@@H](C)C[C@]3(C)O[Si](C)(C)C)O[C@@H]2C[C@@H]2O[C@H](C)[C@@H](C)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C35H62O7SSi2/c1-23-15-17-28(18-16-23)43(36,37)35(22-32-34(9,42-44(10,11)12)21-25(3)27(5)39-32)31(40-35)20-29-30(19-24(2)26(4)38-29)41-45(13,14)33(6,7)8/h15-18,24-27,29-32H,19-22H2,1-14H3/t24-,25-,26+,27+,29-,30+,31+,32+,34-,35+/m0/s1
InChIKeyXZAZNXCFDVXQMV-JVVCTOPPSA-N
XLogP8.27
TPSA83.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.11
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane with MolForge

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Related Compounds

[(2S)-1-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 58991065
[(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
[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tridecyloxan-2-yl]methyl 4-methylbenzenesulfonate
CID 46186026
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
tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyloxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
CID 134955124
[(1S,3R,5S,6R,8S,11R,13S,14R)-14-[diethyl(propan-2-yl)silyl]oxy-1-methyl-13-[[(2R,3S)-3-(4-methylphenyl)sulfonyloxiran-2-yl]methyl]-5-triethylsilyloxy-2,7,12-trioxatricyclo[9.4.0.03,8]pentadecan-6-yl]methyl trifluoromethanesulfonate
CID 132933338
1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol
CID 10322135
[(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10433715
[(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-yl] 4-methylbenzenesulfonate
CID 89062282
(S)-5-(((2R,3R,4S,5S)-3-methoxy-5-(((2R,4R,6S)-4-methyl-3-methylene-6-(3-((triethylsilyl)oxy)propyl)tetrahydro-2H-pyran-2-yl)methyl)-4-((phenylsulfonyl) methyl)tetrahydrofuran-2-yl)methyl)-2,2,3,3,8,8,9,9-octamethyl-4,7-dioxa-3,8-disiladecane
CID 131749875
(S)-5-(((2R,3R,4S,5S)-3-methoxy-4-((phenylsulfonyl)methyl)-5-(2-((triethylsilyl)oxy)ethyl)tetrahydrofuran-2-yl)methyl)-2,2,3,3,8,8,9,9-octamethyl-4,7-dioxa-3,8-disiladecane
CID 131749894

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane (CID 134955102) is tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane is Cc1ccc(S(=O)(=O)[C@@]2(C[C@H]3O[C@H](C)[C@@H](C)C[C@]3(C)O[Si](C)(C)C)O[C@@H]2C[C@@H]2O[C@H](C)[C@@H](C)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane?
The InChIKey is XZAZNXCFDVXQMV-JVVCTOPPSA-N. The full InChI is InChI=1S/C35H62O7SSi2/c1-23-15-17-28(18-16-23)43(36,37)35(22-32-34(9,42-44(10,11)12)21-25(3)27(5)39-32)31(40-35)20-29-30(19-24(2)26(4)38-29)41-45(13,14)33(6,7)8/h15-18,24-27,29-32H,19-22H2,1-14H3/t24-,25-,26+,27+,29-,30+,31+,32+,34-,35+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane has a molecular weight of 683.11 g/mol, XLogP of 8.27, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134955102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).