(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one

C8H12O6 — CID 54694369

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one
SMILESCCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C8H12O6/c1-2-13-7-5(11)6(4(10)3-9)14-8(7)12/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
InChIKeyGXRFOOHMMLYYNW-UJURSFKZSA-N
MW204.18 g/mol
LogP-0.93
Rot. Bonds4

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one (PubChem CID 54694369) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one
PubChem CID54694369
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one
SMILESCCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C8H12O6/c1-2-13-7-5(11)6(4(10)3-9)14-8(7)12/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
InChIKeyGXRFOOHMMLYYNW-UJURSFKZSA-N
XLogP-0.93
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one 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)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one (CID 54694369) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one is CCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one?
The InChIKey is GXRFOOHMMLYYNW-UJURSFKZSA-N. The full InChI is InChI=1S/C8H12O6/c1-2-13-7-5(11)6(4(10)3-9)14-8(7)12/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one has a molecular weight of 204.18 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54694369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).