2,3-dihydroxypropanal

C3H6O3 — CID 751

IUPAC2,3-dihydroxypropanal
SMILESO=CC(O)CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
InChIKeyMNQZXJOMYWMBOU-UHFFFAOYSA-N
MW90.08 g/mol
LogP-1.46
Rot. Bonds2

About 2,3-dihydroxypropanal

2,3-dihydroxypropanal (PubChem CID 751) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is 2,3-dihydroxypropanal.

Molecular Properties

Compound Name2,3-dihydroxypropanal
PubChem CID751
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Name2,3-dihydroxypropanal
SMILESO=CC(O)CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
InChIKeyMNQZXJOMYWMBOU-UHFFFAOYSA-N
XLogP-1.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
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 2,3-dihydroxypropanal?
The IUPAC name of 2,3-dihydroxypropanal (CID 751) is 2,3-dihydroxypropanal.
What is the SMILES notation for 2,3-dihydroxypropanal?
The canonical SMILES for 2,3-dihydroxypropanal is O=CC(O)CO.
What is the InChIKey of 2,3-dihydroxypropanal?
The InChIKey is MNQZXJOMYWMBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2.
What are the key properties of 2,3-dihydroxypropanal?
2,3-dihydroxypropanal has a molecular weight of 90.08 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanal is sourced from PubChem (CID 751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).