[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate

C15H27FO6Si — CID 18665150

IUPAC[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](F)[C@@H](OCC[Si](C)(C)C)O[C@@H](C)[C@H]1OC(C)=O
InChIInChI=1S/C15H27FO6Si/c1-9-13(21-10(2)17)14(22-11(3)18)12(16)15(20-9)19-7-8-23(4,5)6/h9,12-15H,7-8H2,1-6H3/t9-,12-,13+,14-,15-/m0/s1
InChIKeyATQIDLUUEXLCFI-WNBCSMFUSA-N
MW350.46 g/mol
LogP2.29
Rot. Bonds6

About [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate

[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate (PubChem CID 18665150) has the molecular formula C15H27FO6Si and a molecular weight of 350.46 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate
PubChem CID18665150
Molecular FormulaC15H27FO6Si
Molecular Weight350.46 g/mol
Exact Mass350.16
IUPAC Name[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](F)[C@@H](OCC[Si](C)(C)C)O[C@@H](C)[C@H]1OC(C)=O
InChIInChI=1S/C15H27FO6Si/c1-9-13(21-10(2)17)14(22-11(3)18)12(16)15(20-9)19-7-8-23(4,5)6/h9,12-15H,7-8H2,1-6H3/t9-,12-,13+,14-,15-/m0/s1
InChIKeyATQIDLUUEXLCFI-WNBCSMFUSA-N
XLogP2.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate with MolForge

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Related Compounds

alpha-D-Glucopyranoside, methyl, tetraacetate
CID 95144
[(2R,3R,4S,5R)-3,4,6-triacetyloxy-5-fluorooxan-2-yl]methyl acetate
CID 11688873
(4,5,6-Triacetyloxy-2-methyloxan-3-yl) acetate
CID 273721
Methyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside
CID 2728821
L-Mannopyranose, 6-deoxy-, tetraacetate
CID 10947545
beta-D-Glucopyranose, 6-deoxy-6-fluoro-, tetraacetate
CID 21625578
Methyl tetraacetyl-beta-D-galactopyranoside
CID 2729837
Methyl beta-D-glucopyranoside tetraacetate
CID 219982
[(2S,3S,4R,5S,6R)-2,3,5-triacetyloxy-6-(difluoromethyl)oxan-4-yl] acetate
CID 90672364
[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 102469378
1,3,4,6-tetra-O-Acetyl-2-deoxy-2-fluoro-beta-D-glucopyranose
CID 10937019
1,2,3,4-Tetra-O-acetyl-L-fucopyranose
CID 11012995

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate?
The IUPAC name of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate (CID 18665150) is [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](F)[C@@H](OCC[Si](C)(C)C)O[C@@H](C)[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate?
The InChIKey is ATQIDLUUEXLCFI-WNBCSMFUSA-N. The full InChI is InChI=1S/C15H27FO6Si/c1-9-13(21-10(2)17)14(22-11(3)18)12(16)15(20-9)19-7-8-23(4,5)6/h9,12-15H,7-8H2,1-6H3/t9-,12-,13+,14-,15-/m0/s1.
What are the key properties of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate?
[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate has a molecular weight of 350.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate is sourced from PubChem (CID 18665150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).