(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one

C13H14O5 — CID 138113869

IUPAC(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
SMILESO=C1C=CC(O)[C@H](C(O)C(O)c2ccccc2)O1
InChIInChI=1S/C13H14O5/c14-9-6-7-10(15)18-13(9)12(17)11(16)8-4-2-1-3-5-8/h1-7,9,11-14,16-17H/t9?,11?,12?,13-/m1/s1
InChIKeyAWCDBKHWVKLXEE-HFCCTJRWSA-N
MW250.25 g/mol
LogP-0.08
Rot. Bonds3

About (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one

(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one (PubChem CID 138113869) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
PubChem CID138113869
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
SMILESO=C1C=CC(O)[C@H](C(O)C(O)c2ccccc2)O1
InChIInChI=1S/C13H14O5/c14-9-6-7-10(15)18-13(9)12(17)11(16)8-4-2-1-3-5-8/h1-7,9,11-14,16-17H/t9?,11?,12?,13-/m1/s1
InChIKeyAWCDBKHWVKLXEE-HFCCTJRWSA-N
XLogP-0.08
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one
CID 72705497
(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
CID 122366245
[(1R,2R)-2-hydroxy-2-[(3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
CID 10379554
(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
CID 10617106
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
CID 129252172
2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 118584259
(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
CID 135026714
(4S,5S)-4-hydroxy-5-[(1S,2S,3S)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
CID 26298735
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one
CID 123761263
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
1,2-diphenylethane-1,2-diol
CID 159073808
(3R)-N,N-dimethyl-3-[(2S)-5-oxo-2H-furan-2-yl]-3-phenylpropanethioamide
CID 102137996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one (CID 138113869) is (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one is O=C1C=CC(O)[C@H](C(O)C(O)c2ccccc2)O1.
What is the InChIKey of (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one?
The InChIKey is AWCDBKHWVKLXEE-HFCCTJRWSA-N. The full InChI is InChI=1S/C13H14O5/c14-9-6-7-10(15)18-13(9)12(17)11(16)8-4-2-1-3-5-8/h1-7,9,11-14,16-17H/t9?,11?,12?,13-/m1/s1.
What are the key properties of (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one?
(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one has a molecular weight of 250.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 138113869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).