(3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one

C20H17FO6 — CID 131728302

IUPAC(3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one
SMILESC[C@]1(F)C(=O)O[C@H](C(O)C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C20H17FO6/c1-19(21)18(25)27-17(15(23)14(22)12-8-4-2-5-9-12)20(19,26)16(24)13-10-6-3-7-11-13/h2-11,15,17,23,26H,1H3/t15?,17-,19+,20-/m1/s1
InChIKeyDYBHCRMXPAXZRD-YQJXKYCPSA-N
MW372.35 g/mol
LogP1.50
Rot. Bonds5

About (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one

(3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one (PubChem CID 131728302) has the molecular formula C20H17FO6 and a molecular weight of 372.35 g/mol. Its IUPAC name is (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one
PubChem CID131728302
Molecular FormulaC20H17FO6
Molecular Weight372.35 g/mol
Exact Mass372.10
IUPAC Name(3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one
SMILESC[C@]1(F)C(=O)O[C@H](C(O)C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C20H17FO6/c1-19(21)18(25)27-17(15(23)14(22)12-8-4-2-5-9-12)20(19,26)16(24)13-10-6-3-7-11-13/h2-11,15,17,23,26H,1H3/t15?,17-,19+,20-/m1/s1
InChIKeyDYBHCRMXPAXZRD-YQJXKYCPSA-N
XLogP1.50
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one with MolForge

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Related Compounds

ethyl (E)-2-(1,1-difluoro-2-oxo-2-phenylethyl)-2-hydroxy-4-phenylbut-3-enoate
CID 177850113
(2-Fluorobenzoyl)-d-glucopyranuronic acid
CID 129674968
(2R)-2-[(3S,4S,5S)-4-benzoyl-5-(hydroxymethyl)-4-methyloxolan-3-yl]-1-phenylpropan-1-one
CID 12142720
Dibenzoylglycerin
CID 19753340
Dibenzoylweinsaureanhydrid
CID 87286986
Tribenzoylribofuranosyl bromide
CID 129793538
Tribenzoyl-ribofuranose
CID 129793614
Dibenzoyl-d-tartaric acid anhydride
CID 129806255
Diethyl 2,3-dibenzoyltartrate
CID 129831452
1-Acetyl-2,3,5-tribenzoyl-ribose
CID 141290603
1-[2-[(2R,3S,4S)-5-bromo-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-3-carbonyl]phenyl]ethanone
CID 22838515
1-(t-Butyldimethylsilyloxy)-3,5-bis(benzoyl)-2-deoxy-2,2-difluororibose
CID 22866806

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one?
The IUPAC name of (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one (CID 131728302) is (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one?
The canonical SMILES for (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one is C[C@]1(F)C(=O)O[C@H](C(O)C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one?
The InChIKey is DYBHCRMXPAXZRD-YQJXKYCPSA-N. The full InChI is InChI=1S/C20H17FO6/c1-19(21)18(25)27-17(15(23)14(22)12-8-4-2-5-9-12)20(19,26)16(24)13-10-6-3-7-11-13/h2-11,15,17,23,26H,1H3/t15?,17-,19+,20-/m1/s1.
What are the key properties of (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one?
(3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one has a molecular weight of 372.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-benzoyl-3-fluoro-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 131728302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).