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

C19H17FO6 — CID 126567775

IUPAC[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1
InChIInChI=1S/C19H17FO6/c20-15-14(11-24-17(21)12-7-3-1-4-8-12)25-19(23)16(15)26-18(22)13-9-5-2-6-10-13/h1-10,14-16,19,23H,11H2/t14-,15-,16-,19?/m1/s1
InChIKeyVXKZZNHURZTSQV-OJEBHDCCSA-N
MW360.34 g/mol
LogP2.12
Rot. Bonds5

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

[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate (PubChem CID 126567775) has the molecular formula C19H17FO6 and a molecular weight of 360.34 g/mol. Its IUPAC name is [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
PubChem CID126567775
Molecular FormulaC19H17FO6
Molecular Weight360.34 g/mol
Exact Mass360.10
IUPAC Name[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1
InChIInChI=1S/C19H17FO6/c20-15-14(11-24-17(21)12-7-3-1-4-8-12)25-19(23)16(15)26-18(22)13-9-5-2-6-10-13/h1-10,14-16,19,23H,11H2/t14-,15-,16-,19?/m1/s1
InChIKeyVXKZZNHURZTSQV-OJEBHDCCSA-N
XLogP2.12
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
[(2R,3S,4S,5S,6R)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 95198842
[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 11146396
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dihydroxyoxan-2-yl]methyl benzoate
CID 56619465
[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 175174191
[(2R,3R,4R,5R)-4,5-dibenzoyloxy-6-bromo-3-fluorooxan-2-yl]methyl benzoate
CID 67119991
[(2R,3R,4R,5S,6R)-4,5-dibenzoyloxy-3-fluoro-6-methyloxan-2-yl]methyl benzoate
CID 163770416
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
[(2R,3R,4R,5R,6R)-4,5-dibenzoyloxy-3-fluoro-6-methoxyoxan-2-yl]methyl benzoate
CID 134934815
[(2R,3S,4S,5R)-4-benzoyloxy-5-carbamothioyl-3-fluorooxolan-2-yl]methyl benzoate
CID 101345967

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate (CID 126567775) is [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate is O=C(OC[C@H]1OC(O)[C@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1.
What is the InChIKey of [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate?
The InChIKey is VXKZZNHURZTSQV-OJEBHDCCSA-N. The full InChI is InChI=1S/C19H17FO6/c20-15-14(11-24-17(21)12-7-3-1-4-8-12)25-19(23)16(15)26-18(22)13-9-5-2-6-10-13/h1-10,14-16,19,23H,11H2/t14-,15-,16-,19?/m1/s1.
What are the key properties of [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate?
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate has a molecular weight of 360.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 126567775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).