4-hydroxy-5-iodo-5-oxopentanoic acid

C5H7IO4 — CID 90138235

IUPAC4-hydroxy-5-iodo-5-oxopentanoic acid
SMILESO=C(O)CCC(O)C(=O)I
InChIInChI=1S/C5H7IO4/c6-5(10)3(7)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)
InChIKeyPGERJCYGYGOTSJ-UHFFFAOYSA-N
MW258.01 g/mol
LogP0.17
Rot. Bonds4

About 4-hydroxy-5-iodo-5-oxopentanoic acid

4-hydroxy-5-iodo-5-oxopentanoic acid (PubChem CID 90138235) has the molecular formula C5H7IO4 and a molecular weight of 258.01 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-5-oxopentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-iodo-5-oxopentanoic acid
PubChem CID90138235
Molecular FormulaC5H7IO4
Molecular Weight258.01 g/mol
Exact Mass257.94
IUPAC Name4-hydroxy-5-iodo-5-oxopentanoic acid
SMILESO=C(O)CCC(O)C(=O)I
InChIInChI=1S/C5H7IO4/c6-5(10)3(7)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)
InChIKeyPGERJCYGYGOTSJ-UHFFFAOYSA-N
XLogP0.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.01
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
2-hydroxypentanedioic acid;urea
CID 175478828
4,7,10-trihydroxytridecanedioic acid
CID 174508120
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
CID 118303517
4-chloro-4-hydroxybutanoic acid
CID 87098344
tris(2-carboxyethyl)-hydroxyphosphanium
CID 87704459
[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
(2S)-2-hydroxytricosanoyl iodide
CID 98117445
4-hydroxy-5-sulfanylpentanoic acid
CID 22119508

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-5-oxopentanoic acid?
The IUPAC name of 4-hydroxy-5-iodo-5-oxopentanoic acid (CID 90138235) is 4-hydroxy-5-iodo-5-oxopentanoic acid.
What is the SMILES notation for 4-hydroxy-5-iodo-5-oxopentanoic acid?
The canonical SMILES for 4-hydroxy-5-iodo-5-oxopentanoic acid is O=C(O)CCC(O)C(=O)I.
What is the InChIKey of 4-hydroxy-5-iodo-5-oxopentanoic acid?
The InChIKey is PGERJCYGYGOTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO4/c6-5(10)3(7)1-2-4(8)9/h3,7H,1-2H2,(H,8,9).
What are the key properties of 4-hydroxy-5-iodo-5-oxopentanoic acid?
4-hydroxy-5-iodo-5-oxopentanoic acid has a molecular weight of 258.01 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-5-oxopentanoic acid is sourced from PubChem (CID 90138235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).