methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate

C14H23FO5 — CID 90352397

IUPACmethyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate
SMILESCOC(=O)[C@@]1(F)C[C@@H](C)[C@@H](C)C([C@H](C)COC(C)=O)O1
InChIInChI=1S/C14H23FO5/c1-8-6-14(15,13(17)18-5)20-12(10(8)3)9(2)7-19-11(4)16/h8-10,12H,6-7H2,1-5H3/t8-,9-,10-,12?,14-/m1/s1
InChIKeyYZWWMYGPHVHKMP-MXQNYSNRSA-N
MW290.33 g/mol
LogP2.09
Rot. Bonds4

About methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate

methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate (PubChem CID 90352397) has the molecular formula C14H23FO5 and a molecular weight of 290.33 g/mol. Its IUPAC name is methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate
PubChem CID90352397
Molecular FormulaC14H23FO5
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Namemethyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate
SMILESCOC(=O)[C@@]1(F)C[C@@H](C)[C@@H](C)C([C@H](C)COC(C)=O)O1
InChIInChI=1S/C14H23FO5/c1-8-6-14(15,13(17)18-5)20-12(10(8)3)9(2)7-19-11(4)16/h8-10,12H,6-7H2,1-5H3/t8-,9-,10-,12?,14-/m1/s1
InChIKeyYZWWMYGPHVHKMP-MXQNYSNRSA-N
XLogP2.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate?
The IUPAC name of methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate (CID 90352397) is methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate.
What is the SMILES notation for methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate?
The canonical SMILES for methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate is COC(=O)[C@@]1(F)C[C@@H](C)[C@@H](C)C([C@H](C)COC(C)=O)O1.
What is the InChIKey of methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate?
The InChIKey is YZWWMYGPHVHKMP-MXQNYSNRSA-N. The full InChI is InChI=1S/C14H23FO5/c1-8-6-14(15,13(17)18-5)20-12(10(8)3)9(2)7-19-11(4)16/h8-10,12H,6-7H2,1-5H3/t8-,9-,10-,12?,14-/m1/s1.
What are the key properties of methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate?
methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate has a molecular weight of 290.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate is sourced from PubChem (CID 90352397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).