[(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate

C19H15Cl2FO6 — CID 118108917

IUPAC[(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate
SMILESO=C(OC[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2FO6/c20-12-5-1-10(2-6-12)17(23)26-9-14-16(15(22)19(25)27-14)28-18(24)11-3-7-13(21)8-4-11/h1-8,14-16,19,25H,9H2/t14-,15+,16-,19?/m1/s1
InChIKeyJPIJOVYGZLJFMW-ONXYJPLBSA-N
MW429.23 g/mol
LogP3.43
Rot. Bonds5

About [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate

[(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate (PubChem CID 118108917) has the molecular formula C19H15Cl2FO6 and a molecular weight of 429.23 g/mol. Its IUPAC name is [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate.

Molecular Properties

Compound Name[(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate
PubChem CID118108917
Molecular FormulaC19H15Cl2FO6
Molecular Weight429.23 g/mol
Exact Mass428.02
IUPAC Name[(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate
SMILESO=C(OC[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2FO6/c20-12-5-1-10(2-6-12)17(23)26-9-14-16(15(22)19(25)27-14)28-18(24)11-3-7-13(21)8-4-11/h1-8,14-16,19,25H,9H2/t14-,15+,16-,19?/m1/s1
InChIKeyJPIJOVYGZLJFMW-ONXYJPLBSA-N
XLogP3.43
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate with MolForge

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Related Compounds

[(2R,3R,4R,5S)-3,4-bis[(4-chlorobenzoyl)oxy]-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate
CID 165347928
[(2R,3R,4R)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-methyloxolan-2-yl]methyl 4-chlorobenzoate
CID 146406661
[(3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-(hydroxyamino)oxolan-2-yl]methyl 4-chlorobenzoate
CID 155417465
[(3R,4S)-4-fluoro-5-hydroxy-3-(4-nitrobenzoyl)oxyoxolan-2-yl]methyl 4-nitrobenzoate
CID 118688640
[(2R,3R,4S)-4-fluoro-5-hydroxy-3-[4-(hydroxymethyl)benzoyl]oxyoxolan-2-yl]methyl 4-(hydroxymethyl)benzoate;[(2R,3R,4S)-4-fluoro-3-[4-(hydroxymethyl)benzoyl]oxy-5-methoxyoxolan-2-yl]methyl 4-(hydroxymethyl)benzoate
CID 161431779
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate
CID 158886305
[(2S,3S,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxythiolan-2-yl]methyl 4-chlorobenzoate
CID 118337865
[(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
[(2S,3R,4R,5R)-4,5-dihydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 1273823

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate?
The IUPAC name of [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate (CID 118108917) is [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate.
What is the SMILES notation for [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate?
The canonical SMILES for [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate is O=C(OC[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate?
The InChIKey is JPIJOVYGZLJFMW-ONXYJPLBSA-N. The full InChI is InChI=1S/C19H15Cl2FO6/c20-12-5-1-10(2-6-12)17(23)26-9-14-16(15(22)19(25)27-14)28-18(24)11-3-7-13(21)8-4-11/h1-8,14-16,19,25H,9H2/t14-,15+,16-,19?/m1/s1.
What are the key properties of [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate?
[(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate has a molecular weight of 429.23 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate is sourced from PubChem (CID 118108917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).