[(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane

C35H48O6SSi2 — CID 101267917

IUPAC[(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@]1(C[C@H]1OCCC[C@]1(C)O[Si](C)(C)C)S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H48O6SSi2/c1-33(2,3)44(29-20-13-9-14-21-29,30-22-15-10-16-23-30)39-27-32-35(40-32,42(36,37)28-18-11-8-12-19-28)26-31-34(4,24-17-25-38-31)41-43(5,6)7/h8-16,18-23,31-32H,17,24-27H2,1-7H3/t31-,32+,34+,35-/m1/s1
InChIKeyRVJALJHIPQDVDH-LWNMIYKMSA-N
MW653.00 g/mol
LogP6.31
Rot. Bonds11

About [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane

[(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane (PubChem CID 101267917) has the molecular formula C35H48O6SSi2 and a molecular weight of 653.00 g/mol. Its IUPAC name is [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane
PubChem CID101267917
Molecular FormulaC35H48O6SSi2
Molecular Weight653.00 g/mol
Exact Mass652.27
IUPAC Name[(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@]1(C[C@H]1OCCC[C@]1(C)O[Si](C)(C)C)S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H48O6SSi2/c1-33(2,3)44(29-20-13-9-14-21-29,30-22-15-10-16-23-30)39-27-32-35(40-32,42(36,37)28-18-11-8-12-19-28)26-31-34(4,24-17-25-38-31)41-43(5,6)7/h8-16,18-23,31-32H,17,24-27H2,1-7H3/t31-,32+,34+,35-/m1/s1
InChIKeyRVJALJHIPQDVDH-LWNMIYKMSA-N
XLogP6.31
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.00
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane (CID 101267917) is [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane is CC(C)(C)[Si](OC[C@@H]1O[C@]1(C[C@H]1OCCC[C@]1(C)O[Si](C)(C)C)S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane?
The InChIKey is RVJALJHIPQDVDH-LWNMIYKMSA-N. The full InChI is InChI=1S/C35H48O6SSi2/c1-33(2,3)44(29-20-13-9-14-21-29,30-22-15-10-16-23-30)39-27-32-35(40-32,42(36,37)28-18-11-8-12-19-28)26-31-34(4,24-17-25-38-31)41-43(5,6)7/h8-16,18-23,31-32H,17,24-27H2,1-7H3/t31-,32+,34+,35-/m1/s1.
What are the key properties of [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane?
[(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane has a molecular weight of 653.00 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]-3-methyloxan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 101267917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).