(2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol

C19H42O6Si2 — CID 71607147

IUPAC(2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](O)[C@H](O)[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-14(13-23-26(8,9)19(4,5)6)24-18(22-7)16(21)15(17)20/h14-18,20-21H,10-13H2,1-9H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyNIPSBGXOEWADIM-SFFUCWETSA-N
MW422.71 g/mol
LogP3.49
Rot. Bonds9

About (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol

(2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol (PubChem CID 71607147) has the molecular formula C19H42O6Si2 and a molecular weight of 422.71 g/mol. Its IUPAC name is (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol
PubChem CID71607147
Molecular FormulaC19H42O6Si2
Molecular Weight422.71 g/mol
Exact Mass422.25
IUPAC Name(2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](O)[C@H](O)[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-14(13-23-26(8,9)19(4,5)6)24-18(22-7)16(21)15(17)20/h14-18,20-21H,10-13H2,1-9H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyNIPSBGXOEWADIM-SFFUCWETSA-N
XLogP3.49
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

((2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl)oxy-trimethylsilane
CID 11730569
2-(Trimethylsilyl)ethyl lactoside
CID 195169
2-(Trimethylsilyl)ethyl beta-galactopyranoside
CID 3082836
alpha-D-Glucopyranoside, 1-O-methyl-2,3,4-tri-O-trimethylsilyl-
CID 11047886
US11241393, Sil 3
CID 59502263
US11241393, Sil 2
CID 59502273
Glyceryl-glycoside TMS ether
CID 91733362
2-(Trimethylsilyl)ethyl 4-O-Beta-D-Galactopyranosyl-6-Se-Methyl-6-Seleno-Beta-D-Glucopyranoside
CID 86223062
2-(trimethylsilyl)ethyl 4-O-(3-O-(galactopyranosyl)galactopyranosyl)galactopyranoside
CID 190882
(2R,3R,4S,5R,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 10968858
(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 134878312
[(1S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 11027555

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol?
The IUPAC name of (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol (CID 71607147) is (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol?
The canonical SMILES for (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol is CC[Si](CC)(CC)O[C@H]1[C@H](O)[C@H](O)[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol?
The InChIKey is NIPSBGXOEWADIM-SFFUCWETSA-N. The full InChI is InChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-14(13-23-26(8,9)19(4,5)6)24-18(22-7)16(21)15(17)20/h14-18,20-21H,10-13H2,1-9H3/t14-,15-,16+,17-,18+/m1/s1.
What are the key properties of (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol?
(2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol has a molecular weight of 422.71 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-5-triethylsilyloxyoxane-3,4-diol is sourced from PubChem (CID 71607147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).