[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane

C31H56O5SSi2 — CID 11227178

IUPAC[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@@H]1CCC=C(C(C)(C)CS(=O)(=O)c2ccccc2)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H56O5SSi2/c1-24(35-38(10,11)29(2,3)4)27(36-39(12,13)30(5,6)7)22-25-18-17-21-28(34-25)31(8,9)23-37(32,33)26-19-15-14-16-20-26/h14-16,19-21,24-25,27H,17-18,22-23H2,1-13H3/t24-,25+,27-/m1/s1
InChIKeyOHLVJRNAUUWJGF-CMTIAEDTSA-N
MW597.02 g/mol
LogP8.74
Rot. Bonds11

About [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-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-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11227178) has the molecular formula C31H56O5SSi2 and a molecular weight of 597.02 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-[tert-butyl(dimethyl)silyl]oxybutan-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-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11227178
Molecular FormulaC31H56O5SSi2
Molecular Weight597.02 g/mol
Exact Mass596.34
IUPAC Name[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@@H]1CCC=C(C(C)(C)CS(=O)(=O)c2ccccc2)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H56O5SSi2/c1-24(35-38(10,11)29(2,3)4)27(36-39(12,13)30(5,6)7)22-25-18-17-21-28(34-25)31(8,9)23-37(32,33)26-19-15-14-16-20-26/h14-16,19-21,24-25,27H,17-18,22-23H2,1-13H3/t24-,25+,27-/m1/s1
InChIKeyOHLVJRNAUUWJGF-CMTIAEDTSA-N
XLogP8.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.02
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-1-[(2S,5R)-5-[2-(benzenesulfonyl)ethyl]-3-methylideneoxolan-2-yl]-5-methylhepta-5,6-dien-3-yl]oxy-triethylsilane
CID 141676408
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-2-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran
CID 11327296
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
[(3R,4R)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 21607909
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493
TBDMS(-3)[Et(-4)][TBDMS(-6)]2-deoxy-D-araHex(b)-Bes
CID 134882863
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex-Bes
CID 134882885
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol
CID 134931697

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-[tert-butyl(dimethyl)silyl]oxybutan-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-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane (CID 11227178) is [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-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-[tert-butyl(dimethyl)silyl]oxybutan-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-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@@H]1CCC=C(C(C)(C)CS(=O)(=O)c2ccccc2)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is OHLVJRNAUUWJGF-CMTIAEDTSA-N. The full InChI is InChI=1S/C31H56O5SSi2/c1-24(35-38(10,11)29(2,3)4)27(36-39(12,13)30(5,6)7)22-25-18-17-21-28(34-25)31(8,9)23-37(32,33)26-19-15-14-16-20-26/h14-16,19-21,24-25,27H,17-18,22-23H2,1-13H3/t24-,25+,27-/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-[tert-butyl(dimethyl)silyl]oxybutan-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-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 597.02 g/mol, XLogP of 8.74, 11 rotatable bonds, 0 hydrogen bond donors, and 5 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-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11227178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).