[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate

C20H19FO6 — CID 67432504

IUPAC[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[C@H]1O[C@@H](O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19FO6/c1-12-8-6-7-11-14(12)17(23)26-18-15(20(2,21)19(24)27-18)25-16(22)13-9-4-3-5-10-13/h3-11,15,18-19,24H,1-2H3/t15-,18+,19-,20-/m1/s1
InChIKeyMGMUKZRBVAVJTL-XWPNQZOQSA-N
MW374.36 g/mol
LogP2.78
Rot. Bonds4

About [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate

[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate (PubChem CID 67432504) has the molecular formula C20H19FO6 and a molecular weight of 374.36 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate
PubChem CID67432504
Molecular FormulaC20H19FO6
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[C@H]1O[C@@H](O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19FO6/c1-12-8-6-7-11-14(12)17(23)26-18-15(20(2,21)19(24)27-18)25-16(22)13-9-4-3-5-10-13/h3-11,15,18-19,24H,1-2H3/t15-,18+,19-,20-/m1/s1
InChIKeyMGMUKZRBVAVJTL-XWPNQZOQSA-N
XLogP2.78
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate with MolForge

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Related Compounds

3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid
CID 91323170
[(1R,4S,5S)-3-acetyloxy-4-benzoyloxy-5-fluoro-2-oxabicyclo[3.1.0]hexan-6-yl] benzoate
CID 156571665
(3-ethyloxiran-2-yl) 2-methylbenzoate
CID 174899248
3-[(2R,3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]-2-methylbenzoic acid
CID 90962548
[(2R,3S,4S)-3-benzoyloxy-5-bromo-4-fluorothiolan-2-yl] 2-methylbenzoate
CID 159939947
[(3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 59583577
[(2R,3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 53305815
[(3S,3aR,6R,6aR)-6-(2-methylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylbenzoate
CID 167745304
[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate
CID 70950384
bromo 2-methylbenzoate
CID 67185739
[(2R,3R,5R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 15673520
[(2R,3S,4R)-2,4-dibenzoyloxy-5-bromooxolan-3-yl] benzoate
CID 135046318

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate?
The IUPAC name of [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate (CID 67432504) is [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate.
What is the SMILES notation for [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate?
The canonical SMILES for [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate is Cc1ccccc1C(=O)O[C@H]1O[C@@H](O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate?
The InChIKey is MGMUKZRBVAVJTL-XWPNQZOQSA-N. The full InChI is InChI=1S/C20H19FO6/c1-12-8-6-7-11-14(12)17(23)26-18-15(20(2,21)19(24)27-18)25-16(22)13-9-4-3-5-10-13/h3-11,15,18-19,24H,1-2H3/t15-,18+,19-,20-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate?
[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate has a molecular weight of 374.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate is sourced from PubChem (CID 67432504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).