[(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane

C24H42O5SSi2 — CID 11431989

IUPAC[(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1OC(S(=O)(=O)c2ccccc2)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O5SSi2/c1-18-22(29-32(10,11)24(5,6)7)20(28-31(8,9)23(2,3)4)17-21(27-18)30(25,26)19-15-13-12-14-16-19/h12-18,20,22H,1-11H3/t18-,20-,22-/m0/s1
InChIKeyKGSAUWTUYUTQQM-VCOUNFBDSA-N
MW498.83 g/mol
LogP6.50
Rot. Bonds6

About [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11431989) has the molecular formula C24H42O5SSi2 and a molecular weight of 498.83 g/mol. Its IUPAC name is [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11431989
Molecular FormulaC24H42O5SSi2
Molecular Weight498.83 g/mol
Exact Mass498.23
IUPAC Name[(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1OC(S(=O)(=O)c2ccccc2)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O5SSi2/c1-18-22(29-32(10,11)24(5,6)7)20(28-31(8,9)23(2,3)4)17-21(27-18)30(25,26)19-15-13-12-14-16-19/h12-18,20,22H,1-11H3/t18-,20-,22-/m0/s1
InChIKeyKGSAUWTUYUTQQM-VCOUNFBDSA-N
XLogP6.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.83
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane (CID 11431989) is [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane is C[C@@H]1OC(S(=O)(=O)c2ccccc2)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KGSAUWTUYUTQQM-VCOUNFBDSA-N. The full InChI is InChI=1S/C24H42O5SSi2/c1-18-22(29-32(10,11)24(5,6)7)20(28-31(8,9)23(2,3)4)17-21(27-18)30(25,26)19-15-13-12-14-16-19/h12-18,20,22H,1-11H3/t18-,20-,22-/m0/s1.
What are the key properties of [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 498.83 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11431989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).