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

C19H42O6Si2 — CID 101200293

IUPAC(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C19H42O6Si2/c1-18(2,3)26(8,9)23-12-13-14(20)16(15(21)17(22-7)24-13)25-27(10,11)19(4,5)6/h13-17,20-21H,12H2,1-11H3/t13-,14+,15-,16+,17-/m1/s1
InChIKeyXKWIWIFQWYUHBQ-BPKGMFCQSA-N
MW422.71 g/mol
LogP3.49
Rot. Bonds6

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

(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol (PubChem CID 101200293) has the molecular formula C19H42O6Si2 and a molecular weight of 422.71 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
PubChem CID101200293
Molecular FormulaC19H42O6Si2
Molecular Weight422.71 g/mol
Exact Mass422.25
IUPAC Name(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C19H42O6Si2/c1-18(2,3)26(8,9)23-12-13-14(20)16(15(21)17(22-7)24-13)25-27(10,11)19(4,5)6/h13-17,20-21H,12H2,1-11H3/t13-,14+,15-,16+,17-/m1/s1
InChIKeyXKWIWIFQWYUHBQ-BPKGMFCQSA-N
XLogP3.49
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol (CID 101200293) is (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol is CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
The InChIKey is XKWIWIFQWYUHBQ-BPKGMFCQSA-N. The full InChI is InChI=1S/C19H42O6Si2/c1-18(2,3)26(8,9)23-12-13-14(20)16(15(21)17(22-7)24-13)25-27(10,11)19(4,5)6/h13-17,20-21H,12H2,1-11H3/t13-,14+,15-,16+,17-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol?
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol has a molecular weight of 422.71 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 101200293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).