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

C13H14O4 — CID 11356744

IUPAC(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H]([C@@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C13H14O4/c14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9/h1-6,8,10,12-13,15-16H,7H2/t10-,12-,13-/m1/s1
InChIKeyRTNQVKQMVIXUPZ-RAIGVLPGSA-N
MW234.25 g/mol
LogP0.95
Rot. Bonds3

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

(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one (PubChem CID 11356744) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
PubChem CID11356744
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H]([C@@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C13H14O4/c14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9/h1-6,8,10,12-13,15-16H,7H2/t10-,12-,13-/m1/s1
InChIKeyRTNQVKQMVIXUPZ-RAIGVLPGSA-N
XLogP0.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one (CID 11356744) is (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one is O=C1C=CC[C@H]([C@@H](O)[C@H](O)c2ccccc2)O1.
What is the InChIKey of (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The InChIKey is RTNQVKQMVIXUPZ-RAIGVLPGSA-N. The full InChI is InChI=1S/C13H14O4/c14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9/h1-6,8,10,12-13,15-16H,7H2/t10-,12-,13-/m1/s1.
What are the key properties of (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one has a molecular weight of 234.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11356744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).