2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid

C9H14O5 — CID 10352807

IUPAC2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid
SMILESCCO[C@@H]1C=C[C@H](O)[C@@H](CC(=O)O)O1
InChIInChI=1S/C9H14O5/c1-2-13-9-4-3-6(10)7(14-9)5-8(11)12/h3-4,6-7,9-10H,2,5H2,1H3,(H,11,12)/t6-,7+,9-/m0/s1
InChIKeyBPGDACPYKTWWHK-OOZYFLPDSA-N
MW202.21 g/mol
LogP0.14
Rot. Bonds4

About 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid

2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid (PubChem CID 10352807) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid
PubChem CID10352807
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid
SMILESCCO[C@@H]1C=C[C@H](O)[C@@H](CC(=O)O)O1
InChIInChI=1S/C9H14O5/c1-2-13-9-4-3-6(10)7(14-9)5-8(11)12/h3-4,6-7,9-10H,2,5H2,1H3,(H,11,12)/t6-,7+,9-/m0/s1
InChIKeyBPGDACPYKTWWHK-OOZYFLPDSA-N
XLogP0.14
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid 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 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid?
The IUPAC name of 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid (CID 10352807) is 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid is CCO[C@@H]1C=C[C@H](O)[C@@H](CC(=O)O)O1.
What is the InChIKey of 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid?
The InChIKey is BPGDACPYKTWWHK-OOZYFLPDSA-N. The full InChI is InChI=1S/C9H14O5/c1-2-13-9-4-3-6(10)7(14-9)5-8(11)12/h3-4,6-7,9-10H,2,5H2,1H3,(H,11,12)/t6-,7+,9-/m0/s1.
What are the key properties of 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid?
2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid has a molecular weight of 202.21 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic acid is sourced from PubChem (CID 10352807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).