2,3,4,5-tetrahydroxypentanal

C5H10O5 — CID 854

IUPAC2,3,4,5-tetrahydroxypentanal
SMILESO=CC(O)C(O)C(O)CO
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2
InChIKeyPYMYPHUHKUWMLA-UHFFFAOYSA-N
MW150.13 g/mol
LogP-2.74
Rot. Bonds4

About 2,3,4,5-tetrahydroxypentanal

2,3,4,5-tetrahydroxypentanal (PubChem CID 854) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Name2,3,4,5-tetrahydroxypentanal
PubChem CID854
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name2,3,4,5-tetrahydroxypentanal
SMILESO=CC(O)C(O)C(O)CO
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2
InChIKeyPYMYPHUHKUWMLA-UHFFFAOYSA-N
XLogP-2.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydroxypentanal?
The IUPAC name of 2,3,4,5-tetrahydroxypentanal (CID 854) is 2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for 2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for 2,3,4,5-tetrahydroxypentanal is O=CC(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5-tetrahydroxypentanal?
The InChIKey is PYMYPHUHKUWMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2.
What are the key properties of 2,3,4,5-tetrahydroxypentanal?
2,3,4,5-tetrahydroxypentanal has a molecular weight of 150.13 g/mol, XLogP of -2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).