[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate

C12H13FO5 — CID 175174191

IUPAC[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](O)[C@H]1F)c1ccccc1
InChIInChI=1S/C12H13FO5/c13-9-8(18-12(16)10(9)14)6-17-11(15)7-4-2-1-3-5-7/h1-5,8-10,12,14,16H,6H2/t8-,9+,10-,12?/m1/s1
InChIKeyFKJAOLJOKMSDDV-SMRSKGNSSA-N
MW256.23 g/mol
LogP0.26
Rot. Bonds3

About [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate

[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate (PubChem CID 175174191) has the molecular formula C12H13FO5 and a molecular weight of 256.23 g/mol. Its IUPAC name is [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
PubChem CID175174191
Molecular FormulaC12H13FO5
Molecular Weight256.23 g/mol
Exact Mass256.07
IUPAC Name[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](O)[C@H]1F)c1ccccc1
InChIInChI=1S/C12H13FO5/c13-9-8(18-12(16)10(9)14)6-17-11(15)7-4-2-1-3-5-7/h1-5,8-10,12,14,16H,6H2/t8-,9+,10-,12?/m1/s1
InChIKeyFKJAOLJOKMSDDV-SMRSKGNSSA-N
XLogP0.26
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101037423
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
[(4R)-4,5-dihydroxy-3-methoxyoxolan-2-yl]methyl benzoate
CID 130233330
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 129152365
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dihydroxyoxan-2-yl]methyl benzoate
CID 56619465
[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423691
[(2R,3R,4S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 54395944
[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423692
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate
CID 71044137

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate (CID 175174191) is [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate is O=C(OC[C@H]1OC(O)[C@H](O)[C@H]1F)c1ccccc1.
What is the InChIKey of [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
The InChIKey is FKJAOLJOKMSDDV-SMRSKGNSSA-N. The full InChI is InChI=1S/C12H13FO5/c13-9-8(18-12(16)10(9)14)6-17-11(15)7-4-2-1-3-5-7/h1-5,8-10,12,14,16H,6H2/t8-,9+,10-,12?/m1/s1.
What are the key properties of [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate?
[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate has a molecular weight of 256.23 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 175174191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).