[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate

C16H36O8SSi3 — CID 88577632

IUPAC[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate
SMILESC[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C16H36O8SSi3/c1-25(18,19)20-11-12-13(22-26(2,3)4)14(23-27(5,6)7)15(16(17)21-12)24-28(8,9)10/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1
InChIKeyKXYJATWBUQAWLJ-APIJFGDWSA-N
MW472.78 g/mol
LogP2.55
Rot. Bonds9

About [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate

[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate (PubChem CID 88577632) has the molecular formula C16H36O8SSi3 and a molecular weight of 472.78 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate
PubChem CID88577632
Molecular FormulaC16H36O8SSi3
Molecular Weight472.78 g/mol
Exact Mass472.14
IUPAC Name[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate
SMILESC[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C16H36O8SSi3/c1-25(18,19)20-11-12-13(22-26(2,3)4)14(23-27(5,6)7)15(16(17)21-12)24-28(8,9)10/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1
InChIKeyKXYJATWBUQAWLJ-APIJFGDWSA-N
XLogP2.55
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.78
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate (CID 88577632) is [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate is C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[C@@H]1COS(C)(=O)=O.
What is the InChIKey of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate?
The InChIKey is KXYJATWBUQAWLJ-APIJFGDWSA-N. The full InChI is InChI=1S/C16H36O8SSi3/c1-25(18,19)20-11-12-13(22-26(2,3)4)14(23-27(5,6)7)15(16(17)21-12)24-28(8,9)10/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate?
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate has a molecular weight of 472.78 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl methanesulfonate is sourced from PubChem (CID 88577632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).