[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

C26H48O6SSi2 — CID 134882863

IUPAC[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCO[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O6SSi2/c1-12-29-24-21(32-35(10,11)26(5,6)7)18-23(33(27,28)20-16-14-13-15-17-20)31-22(24)19-30-34(8,9)25(2,3)4/h13-17,21-24H,12,18-19H2,1-11H3/t21-,22-,23+,24+/m1/s1
InChIKeyJYBRFIZHSXZYHQ-LWSSLDFYSA-N
MW544.90 g/mol
LogP6.39
Rot. Bonds9

About [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134882863) has the molecular formula C26H48O6SSi2 and a molecular weight of 544.90 g/mol. Its IUPAC name is [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134882863
Molecular FormulaC26H48O6SSi2
Molecular Weight544.90 g/mol
Exact Mass544.27
IUPAC Name[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCO[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O6SSi2/c1-12-29-24-21(32-35(10,11)26(5,6)7)18-23(33(27,28)20-16-14-13-15-17-20)31-22(24)19-30-34(8,9)25(2,3)4/h13-17,21-24H,12,18-19H2,1-11H3/t21-,22-,23+,24+/m1/s1
InChIKeyJYBRFIZHSXZYHQ-LWSSLDFYSA-N
XLogP6.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.90
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

PhS(-2d)[TBDMS(-3)][TBDPS(-6)]Glc1F4Me
CID 134936699
tert-Butyl-dimethyl-[4-(3-trifluoromethyl-benzenesulfonyl)-tetrahydro-pyran-2-ylmethoxy]-silane
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[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 11069577
[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
CID 11092607
[(3S)-3-[(4S,5R,6R)-6-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-methoxyprop-1-ynyl]-tert-butyl-dimethylsilane
CID 11103057
[(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
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 134882863) is [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is CCO[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is JYBRFIZHSXZYHQ-LWSSLDFYSA-N. The full InChI is InChI=1S/C26H48O6SSi2/c1-12-29-24-21(32-35(10,11)26(5,6)7)18-23(33(27,28)20-16-14-13-15-17-20)31-22(24)19-30-34(8,9)25(2,3)4/h13-17,21-24H,12,18-19H2,1-11H3/t21-,22-,23+,24+/m1/s1.
What are the key properties of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 544.90 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134882863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).