[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate

C17H19F3O6 — CID 54763133

IUPAC[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate
SMILESCC(=O)O[C@H]1O[C@H](COCc2ccccc2)C(F)(F)[C@H](OC(C)=O)[C@@H]1F
InChIInChI=1S/C17H19F3O6/c1-10(21)24-15-14(18)16(25-11(2)22)26-13(17(15,19)20)9-23-8-12-6-4-3-5-7-12/h3-7,13-16H,8-9H2,1-2H3/t13-,14+,15-,16+/m1/s1
InChIKeyRUVWNUFKHITNLS-QXSJWSMHSA-N
MW376.33 g/mol
LogP2.40
Rot. Bonds6

About [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate

[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate (PubChem CID 54763133) has the molecular formula C17H19F3O6 and a molecular weight of 376.33 g/mol. Its IUPAC name is [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate
PubChem CID54763133
Molecular FormulaC17H19F3O6
Molecular Weight376.33 g/mol
Exact Mass376.11
IUPAC Name[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate
SMILESCC(=O)O[C@H]1O[C@H](COCc2ccccc2)C(F)(F)[C@H](OC(C)=O)[C@@H]1F
InChIInChI=1S/C17H19F3O6/c1-10(21)24-15-14(18)16(25-11(2)22)26-13(17(15,19)20)9-23-8-12-6-4-3-5-7-12/h3-7,13-16H,8-9H2,1-2H3/t13-,14+,15-,16+/m1/s1
InChIKeyRUVWNUFKHITNLS-QXSJWSMHSA-N
XLogP2.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(3R,4S,5S,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 102459896
[(2R,3S,4S,5R,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 70185856
[(2R,3S,4S,5S,6R)-3-fluoro-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 25228408
[(2R,3R,4S,5S,6R)-2,3-diacetyloxy-5-fluoro-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 132566969
[(2R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 91180261
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066
[(2R,3R,4S,5R)-4,6-diacetyloxy-5-fluoro-3-phenylmethoxyoxan-2-yl]methyl acetate
CID 71739404
(2S,3R,4R,6R)-5,5-difluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 86619972
[3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
CID 171035865
CID 157194320
CID 157194320
[(2R,3R,4R,5S)-4-ethenyl-2-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 24795260
[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-4,5-diacetyloxy-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 57325944

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
The IUPAC name of [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate (CID 54763133) is [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate is CC(=O)O[C@H]1O[C@H](COCc2ccccc2)C(F)(F)[C@H](OC(C)=O)[C@@H]1F.
What is the InChIKey of [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
The InChIKey is RUVWNUFKHITNLS-QXSJWSMHSA-N. The full InChI is InChI=1S/C17H19F3O6/c1-10(21)24-15-14(18)16(25-11(2)22)26-13(17(15,19)20)9-23-8-12-6-4-3-5-7-12/h3-7,13-16H,8-9H2,1-2H3/t13-,14+,15-,16+/m1/s1.
What are the key properties of [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate has a molecular weight of 376.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 54763133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).