(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one

C15H18O5 — CID 122366245

IUPAC(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
SMILESCCO[C@H]1C=CC(=O)O[C@H]1[C@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C15H18O5/c1-2-19-11-8-9-12(16)20-15(11)14(18)13(17)10-6-4-3-5-7-10/h3-9,11,13-15,17-18H,2H2,1H3/t11-,13+,14+,15+/m0/s1
InChIKeyVLWJZPJXEJGGNX-ZGKBOVNRSA-N
MW278.30 g/mol
LogP0.97
Rot. Bonds5

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

(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one (PubChem CID 122366245) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
PubChem CID122366245
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
SMILESCCO[C@H]1C=CC(=O)O[C@H]1[C@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C15H18O5/c1-2-19-11-8-9-12(16)20-15(11)14(18)13(17)10-6-4-3-5-7-10/h3-9,11,13-15,17-18H,2H2,1H3/t11-,13+,14+,15+/m0/s1
InChIKeyVLWJZPJXEJGGNX-ZGKBOVNRSA-N
XLogP0.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
CID 138113869
(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
CID 10617106
(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one
CID 72705497
2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 118584259
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
CID 129252172
[(1R,2R)-2-hydroxy-2-[(3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
CID 10379554
[2-(3-acetyloxy-1,2-dihydroxyheptyl)-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 75052020
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
(3R)-N,N-dimethyl-3-[(2S)-5-oxo-2H-furan-2-yl]-3-phenylpropanethioamide
CID 102137996
(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
CID 135026714
2-ethoxy-1,2-diphenylethanol
CID 3767197

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one (CID 122366245) is (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one is CCO[C@H]1C=CC(=O)O[C@H]1[C@H](O)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one?
The InChIKey is VLWJZPJXEJGGNX-ZGKBOVNRSA-N. The full InChI is InChI=1S/C15H18O5/c1-2-19-11-8-9-12(16)20-15(11)14(18)13(17)10-6-4-3-5-7-10/h3-9,11,13-15,17-18H,2H2,1H3/t11-,13+,14+,15+/m0/s1.
What are the key properties of (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one?
(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one has a molecular weight of 278.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 122366245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).