(3S,4R)-3-fluoro-4,5-dihydroxypentanal

C5H9FO3 — CID 54075672

IUPAC(3S,4R)-3-fluoro-4,5-dihydroxypentanal
SMILESO=CC[C@H](F)[C@H](O)CO
InChIInChI=1S/C5H9FO3/c6-4(1-2-7)5(9)3-8/h2,4-5,8-9H,1,3H2/t4-,5+/m0/s1
InChIKeyMJMJUKHABPJQGX-CRCLSJGQSA-N
MW136.12 g/mol
LogP-0.73
Rot. Bonds4

About (3S,4R)-3-fluoro-4,5-dihydroxypentanal

(3S,4R)-3-fluoro-4,5-dihydroxypentanal (PubChem CID 54075672) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4,5-dihydroxypentanal.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4,5-dihydroxypentanal
PubChem CID54075672
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(3S,4R)-3-fluoro-4,5-dihydroxypentanal
SMILESO=CC[C@H](F)[C@H](O)CO
InChIInChI=1S/C5H9FO3/c6-4(1-2-7)5(9)3-8/h2,4-5,8-9H,1,3H2/t4-,5+/m0/s1
InChIKeyMJMJUKHABPJQGX-CRCLSJGQSA-N
XLogP-0.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.73
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 (3S,4R)-3-fluoro-4,5-dihydroxypentanal?
The IUPAC name of (3S,4R)-3-fluoro-4,5-dihydroxypentanal (CID 54075672) is (3S,4R)-3-fluoro-4,5-dihydroxypentanal.
What is the SMILES notation for (3S,4R)-3-fluoro-4,5-dihydroxypentanal?
The canonical SMILES for (3S,4R)-3-fluoro-4,5-dihydroxypentanal is O=CC[C@H](F)[C@H](O)CO.
What is the InChIKey of (3S,4R)-3-fluoro-4,5-dihydroxypentanal?
The InChIKey is MJMJUKHABPJQGX-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9FO3/c6-4(1-2-7)5(9)3-8/h2,4-5,8-9H,1,3H2/t4-,5+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4,5-dihydroxypentanal?
(3S,4R)-3-fluoro-4,5-dihydroxypentanal has a molecular weight of 136.12 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4,5-dihydroxypentanal is sourced from PubChem (CID 54075672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).