3,4,5-trihydroxypentanal

C5H10O4 — CID 10786

IUPAC3,4,5-trihydroxypentanal
SMILESO=CCC(O)C(O)CO
InChIInChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2
InChIKeyASJSAQIRZKANQN-UHFFFAOYSA-N
MW134.13 g/mol
LogP-1.71
Rot. Bonds4

About 3,4,5-trihydroxypentanal

3,4,5-trihydroxypentanal (PubChem CID 10786) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3,4,5-trihydroxypentanal.

Molecular Properties

Compound Name3,4,5-trihydroxypentanal
PubChem CID10786
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name3,4,5-trihydroxypentanal
SMILESO=CCC(O)C(O)CO
InChIInChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2
InChIKeyASJSAQIRZKANQN-UHFFFAOYSA-N
XLogP-1.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxypentanal?
The IUPAC name of 3,4,5-trihydroxypentanal (CID 10786) is 3,4,5-trihydroxypentanal.
What is the SMILES notation for 3,4,5-trihydroxypentanal?
The canonical SMILES for 3,4,5-trihydroxypentanal is O=CCC(O)C(O)CO.
What is the InChIKey of 3,4,5-trihydroxypentanal?
The InChIKey is ASJSAQIRZKANQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2.
What are the key properties of 3,4,5-trihydroxypentanal?
3,4,5-trihydroxypentanal has a molecular weight of 134.13 g/mol, XLogP of -1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxypentanal is sourced from PubChem (CID 10786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).