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

C19H42O6Si2 — CID 71607155

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

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

(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol (PubChem CID 71607155) has the molecular formula C19H42O6Si2 and a molecular weight of 422.71 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol
PubChem CID71607155
Molecular FormulaC19H42O6Si2
Molecular Weight422.71 g/mol
Exact Mass422.25
IUPAC Name(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC)[C@@H]1O
InChIInChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-15(20)14(24-18(22-7)16(17)21)13-23-26(8,9)19(4,5)6/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16-,17+,18+/m1/s1
InChIKeyHXKPZPIZYCEQTR-WKULXVSPSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol (CID 71607155) is (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol is CC[Si](CC)(CC)O[C@H]1[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol?
The InChIKey is HXKPZPIZYCEQTR-WKULXVSPSA-N. The full InChI is InChI=1S/C19H42O6Si2/c1-10-27(11-2,12-3)25-17-15(20)14(24-18(22-7)16(17)21)13-23-26(8,9)19(4,5)6/h14-18,20-21H,10-13H2,1-9H3/t14-,15+,16-,17+,18+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol?
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-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 (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-triethylsilyloxyoxane-3,5-diol is sourced from PubChem (CID 71607155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).