(2R)-2-hydroxy-3-methoxypropanal

C4H8O3 — CID 14079966

IUPAC(2R)-2-hydroxy-3-methoxypropanal
SMILESCOC[C@@H](O)C=O
InChIInChI=1S/C4H8O3/c1-7-3-4(6)2-5/h2,4,6H,3H2,1H3/t4-/m0/s1
InChIKeyOHLOPQAAMJVRMC-BYPYZUCNSA-N
MW104.11 g/mol
LogP-0.81
Rot. Bonds3

About (2R)-2-hydroxy-3-methoxypropanal

(2R)-2-hydroxy-3-methoxypropanal (PubChem CID 14079966) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-methoxypropanal.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-methoxypropanal
PubChem CID14079966
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name(2R)-2-hydroxy-3-methoxypropanal
SMILESCOC[C@@H](O)C=O
InChIInChI=1S/C4H8O3/c1-7-3-4(6)2-5/h2,4,6H,3H2,1H3/t4-/m0/s1
InChIKeyOHLOPQAAMJVRMC-BYPYZUCNSA-N
XLogP-0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-methoxypropanal?
The IUPAC name of (2R)-2-hydroxy-3-methoxypropanal (CID 14079966) is (2R)-2-hydroxy-3-methoxypropanal.
What is the SMILES notation for (2R)-2-hydroxy-3-methoxypropanal?
The canonical SMILES for (2R)-2-hydroxy-3-methoxypropanal is COC[C@@H](O)C=O.
What is the InChIKey of (2R)-2-hydroxy-3-methoxypropanal?
The InChIKey is OHLOPQAAMJVRMC-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8O3/c1-7-3-4(6)2-5/h2,4,6H,3H2,1H3/t4-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3-methoxypropanal?
(2R)-2-hydroxy-3-methoxypropanal has a molecular weight of 104.11 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-methoxypropanal is sourced from PubChem (CID 14079966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).