[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate

C19H39F3O7SSi2 — CID 146020065

IUPAC[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H39F3O7SSi2/c1-17(2,3)31(8,9)26-12-13-14(29-32(10,11)18(4,5)6)15(16(25-7)27-13)28-30(23,24)19(20,21)22/h13-16H,12H2,1-11H3/t13-,14-,15-,16-/m1/s1
InChIKeyMZQMGLDDMIIPFQ-KLHDSHLOSA-N
MW524.75 g/mol
LogP5.00
Rot. Bonds8

About [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate

[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate (PubChem CID 146020065) has the molecular formula C19H39F3O7SSi2 and a molecular weight of 524.75 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate
PubChem CID146020065
Molecular FormulaC19H39F3O7SSi2
Molecular Weight524.75 g/mol
Exact Mass524.19
IUPAC Name[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H39F3O7SSi2/c1-17(2,3)31(8,9)26-12-13-14(29-32(10,11)18(4,5)6)15(16(25-7)27-13)28-30(23,24)19(20,21)22/h13-16H,12H2,1-11H3/t13-,14-,15-,16-/m1/s1
InChIKeyMZQMGLDDMIIPFQ-KLHDSHLOSA-N
XLogP5.00
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate?
The IUPAC name of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate (CID 146020065) is [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate.
What is the SMILES notation for [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate?
The canonical SMILES for [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate is CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate?
The InChIKey is MZQMGLDDMIIPFQ-KLHDSHLOSA-N. The full InChI is InChI=1S/C19H39F3O7SSi2/c1-17(2,3)31(8,9)26-12-13-14(29-32(10,11)18(4,5)6)15(16(25-7)27-13)28-30(23,24)19(20,21)22/h13-16H,12H2,1-11H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate?
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate has a molecular weight of 524.75 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxolan-3-yl] trifluoromethanesulfonate is sourced from PubChem (CID 146020065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).