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

C20H34O6SSi — CID 134931697

IUPAC[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol
SMILESCCO[C@@H]1[C@@H](CO)O[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O6SSi/c1-7-24-19-16(26-28(5,6)20(2,3)4)13-18(25-17(19)14-21)27(22,23)15-11-9-8-10-12-15/h8-12,16-19,21H,7,13-14H2,1-6H3/t16-,17-,18+,19+/m1/s1
InChIKeyYUUFLJIMQQZXDE-YRXWBPOGSA-N
MW430.64 g/mol
LogP3.36
Rot. Bonds7

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

[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol (PubChem CID 134931697) has the molecular formula C20H34O6SSi and a molecular weight of 430.64 g/mol. Its IUPAC name is [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol
PubChem CID134931697
Molecular FormulaC20H34O6SSi
Molecular Weight430.64 g/mol
Exact Mass430.18
IUPAC Name[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol
SMILESCCO[C@@H]1[C@@H](CO)O[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O6SSi/c1-7-24-19-16(26-28(5,6)20(2,3)4)13-18(25-17(19)14-21)27(22,23)15-11-9-8-10-12-15/h8-12,16-19,21H,7,13-14H2,1-6H3/t16-,17-,18+,19+/m1/s1
InChIKeyYUUFLJIMQQZXDE-YRXWBPOGSA-N
XLogP3.36
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
CID 14991429
2-(Benzenesulfonyl)-4,5-dimethoxy-6-(methoxymethyl)oxan-3-ol
CID 397411
Phenyl 1-Thio-alpha-L-rhamnopyranoside
CID 11021499
Phenyl 1-thio-beta-l-fucopyranoside
CID 54499710
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(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
(2S,3S,4S,5R,6S)-5-methoxy-6-methyl-2-phenylsulfanyloxane-3,4-diol
CID 11300216
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
(2R,3S,4S,5S,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 11773595
(2S,3S,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-2-methoxyoxan-3-ol
CID 11787051
2-(Benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73121602

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]methanol?
The IUPAC name of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol (CID 134931697) is [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol is CCO[C@@H]1[C@@H](CO)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]methanol?
The InChIKey is YUUFLJIMQQZXDE-YRXWBPOGSA-N. The full InChI is InChI=1S/C20H34O6SSi/c1-7-24-19-16(26-28(5,6)20(2,3)4)13-18(25-17(19)14-21)27(22,23)15-11-9-8-10-12-15/h8-12,16-19,21H,7,13-14H2,1-6H3/t16-,17-,18+,19+/m1/s1.
What are the key properties of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol?
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxyoxan-2-yl]methanol has a molecular weight of 430.64 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 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]methanol is sourced from PubChem (CID 134931697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).