(2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol

C16H22O5 — CID 56648094

IUPAC(2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol
SMILESCC[C@@H]1O[C@H](/C=C/c2cccc(OC)c2OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H22O5/c1-4-11-14(17)15(18)12(21-11)9-8-10-6-5-7-13(19-2)16(10)20-3/h5-9,11-12,14-15,17-18H,4H2,1-3H3/b9-8+/t11-,12+,14-,15+/m0/s1
InChIKeyZZCFIFHGXCZACV-OJRJDMQASA-N
MW294.35 g/mol
LogP1.62
Rot. Bonds5

About (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol

(2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol (PubChem CID 56648094) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol
PubChem CID56648094
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name(2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol
SMILESCC[C@@H]1O[C@H](/C=C/c2cccc(OC)c2OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H22O5/c1-4-11-14(17)15(18)12(21-11)9-8-10-6-5-7-13(19-2)16(10)20-3/h5-9,11-12,14-15,17-18H,4H2,1-3H3/b9-8+/t11-,12+,14-,15+/m0/s1
InChIKeyZZCFIFHGXCZACV-OJRJDMQASA-N
XLogP1.62
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol (CID 56648094) is (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol is CC[C@@H]1O[C@H](/C=C/c2cccc(OC)c2OC)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol?
The InChIKey is ZZCFIFHGXCZACV-OJRJDMQASA-N. The full InChI is InChI=1S/C16H22O5/c1-4-11-14(17)15(18)12(21-11)9-8-10-6-5-7-13(19-2)16(10)20-3/h5-9,11-12,14-15,17-18H,4H2,1-3H3/b9-8+/t11-,12+,14-,15+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol?
(2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol has a molecular weight of 294.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-ethyloxolane-3,4-diol is sourced from PubChem (CID 56648094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).