(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one

C13H13FO4 — CID 72705497

IUPAC(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O)[C@H]([C@@H](O)[C@H](F)c2ccccc2)O1
InChIInChI=1S/C13H13FO4/c14-11(8-4-2-1-3-5-8)12(17)13-9(15)6-7-10(16)18-13/h1-7,9,11-13,15,17H/t9-,11+,12-,13+/m0/s1
InChIKeyFZUCACPLLWNFBO-ZBAXXZLZSA-N
MW252.24 g/mol
LogP0.90
Rot. Bonds3

About (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one

(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one (PubChem CID 72705497) has the molecular formula C13H13FO4 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one
PubChem CID72705497
Molecular FormulaC13H13FO4
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O)[C@H]([C@@H](O)[C@H](F)c2ccccc2)O1
InChIInChI=1S/C13H13FO4/c14-11(8-4-2-1-3-5-8)12(17)13-9(15)6-7-10(16)18-13/h1-7,9,11-13,15,17H/t9-,11+,12-,13+/m0/s1
InChIKeyFZUCACPLLWNFBO-ZBAXXZLZSA-N
XLogP0.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
CID 129252172
(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
CID 138113869
[(1R,2R)-2-hydroxy-2-[(3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
CID 10379554
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one
CID 123761263
(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
CID 10617106
(2S,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-methoxy-2,3-dihydropyran-6-one;(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-methyl-2,3-dihydropyran-6-one;(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-morpholin-4-yl-2,3-dihydropyran-6-one
CID 158625911
(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
CID 122366245
(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
CID 135026714
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
(3R)-N,N-dimethyl-3-[(2S)-5-oxo-2H-furan-2-yl]-3-phenylpropanethioamide
CID 102137996
[(E,2S,3R,6S,7S)-3-acetyloxy-6,7-dihydroxy-7-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-4-en-2-yl] acetate
CID 163071586
2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 118584259

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one (CID 72705497) is (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one is O=C1C=C[C@H](O)[C@H]([C@@H](O)[C@H](F)c2ccccc2)O1.
What is the InChIKey of (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one?
The InChIKey is FZUCACPLLWNFBO-ZBAXXZLZSA-N. The full InChI is InChI=1S/C13H13FO4/c14-11(8-4-2-1-3-5-8)12(17)13-9(15)6-7-10(16)18-13/h1-7,9,11-13,15,17H/t9-,11+,12-,13+/m0/s1.
What are the key properties of (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one?
(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one has a molecular weight of 252.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 72705497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).