[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane

C33H50O6SSi — CID 11082575

About [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11082575) has the molecular formula C33H50O6SSi and a molecular weight of 602.91 g/mol. Its IUPAC name is [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 11082575
• Molecular Formula: C33H50O6SSi
• Molecular Weight: 602.91 g/mol
• Exact Mass: 602.31
• IUPAC Name: [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: COc1ccc(CO[C@H](C)[C@@H](C[C@@H]2CCC=C(C(C)(C)CS(=O)(=O)c3ccccc3)O2)O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C33H50O6SSi/c1-25(37-23-26-18-20-27(36-7)21-19-26)30(39-41(8,9)32(2,3)4)22-28-14-13-17-31(38-28)33(5,6)24-40(34,35)29-15-11-10-12-16-29/h10-12,15-21,25,28,30H,13-14,22-24H2,1-9H3/t25-,28+,30-/m1/s1
• InChIKey: JQEINXMPUAHEPE-JEBMXCGPSA-N
• XLogP: 7.94
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.91
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane (CID 11082575) is [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane is COc1ccc(CO[C@H](C)[C@@H](C[C@@H]2CCC=C(C(C)(C)CS(=O)(=O)c3ccccc3)O2)O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is JQEINXMPUAHEPE-JEBMXCGPSA-N. The full InChI is InChI=1S/C33H50O6SSi/c1-25(37-23-26-18-20-27(36-7)21-19-26)30(39-41(8,9)32(2,3)4)22-28-14-13-17-31(38-28)33(5,6)24-40(34,35)29-15-11-10-12-16-29/h10-12,15-21,25,28,30H,13-14,22-24H2,1-9H3/t25-,28+,30-/m1/s1.

What are the key properties of [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane?

[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 602.91 g/mol, XLogP of 7.94, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11082575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).