[(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane

C37H64O5SSi3 — CID 164668713

IUPAC[(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)[C@@H](Sc2ccccc2)OC(COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H64O5SSi3/c1-35(2,3)44(10,11)40-31-30(27-38-26-28-22-18-16-19-23-28)39-34(43-29-24-20-17-21-25-29)33(42-46(14,15)37(7,8)9)32(31)41-45(12,13)36(4,5)6/h16-25,30-34H,26-27H2,1-15H3/t30?,31-,32?,33?,34-/m1/s1
InChIKeyLEDIXNGVZKZSJG-YGPYOWSRSA-N
MW705.24 g/mol
LogP10.89
Rot. Bonds12

About [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 164668713) has the molecular formula C37H64O5SSi3 and a molecular weight of 705.24 g/mol. Its IUPAC name is [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID164668713
Molecular FormulaC37H64O5SSi3
Molecular Weight705.24 g/mol
Exact Mass704.38
IUPAC Name[(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)[C@@H](Sc2ccccc2)OC(COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H64O5SSi3/c1-35(2,3)44(10,11)40-31-30(27-38-26-28-22-18-16-19-23-28)39-34(43-29-24-20-17-21-25-29)33(42-46(14,15)37(7,8)9)32(31)41-45(12,13)36(4,5)6/h16-25,30-34H,26-27H2,1-15H3/t30?,31-,32?,33?,34-/m1/s1
InChIKeyLEDIXNGVZKZSJG-YGPYOWSRSA-N
XLogP10.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.24
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane (CID 164668713) is [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)[C@@H](Sc2ccccc2)OC(COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LEDIXNGVZKZSJG-YGPYOWSRSA-N. The full InChI is InChI=1S/C37H64O5SSi3/c1-35(2,3)44(10,11)40-31-30(27-38-26-28-22-18-16-19-23-28)39-34(43-29-24-20-17-21-25-29)33(42-46(14,15)37(7,8)9)32(31)41-45(12,13)36(4,5)6/h16-25,30-34H,26-27H2,1-15H3/t30?,31-,32?,33?,34-/m1/s1.
What are the key properties of [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 705.24 g/mol, XLogP of 10.89, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 164668713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).