(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid

C6H10O5 — CID 5459929

IUPAC(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
SMILESC[C@@H](O)[C@H](O)CC(=O)C(=O)O
InChIInChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4-/m1/s1
InChIKeyFRIWJYNKZPJVRL-QWWZWVQMSA-N
MW162.14 g/mol
LogP-1.23
Rot. Bonds4

About (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid

(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid (PubChem CID 5459929) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid.

Molecular Properties

Compound Name(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
PubChem CID5459929
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
SMILESC[C@@H](O)[C@H](O)CC(=O)C(=O)O
InChIInChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4-/m1/s1
InChIKeyFRIWJYNKZPJVRL-QWWZWVQMSA-N
XLogP-1.23
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dihydroxy-2,3-dimethylhept-2-enoic acid
CID 91255749
sodium;hydride;4-methyl-2-oxopentanoic acid
CID 173063393
2-oxo-4-sulfanylpentanoic acid
CID 88696921
formic acid;4-hydroxy-2-oxopentanoic acid
CID 159880121
4,5-dihydroxy-1,1-bis(sulfanyl)hexan-2-one
CID 142967324
4,5-dihydroxy-1-methoxyhexan-2-one
CID 54489389
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
4,5,6,7,9-pentahydroxy-8-methoxy-2-oxononanoic acid
CID 135306451
(4S,5R)-6-butoxy-4,5-dihydroxy-2,6-dioxohexanoic acid
CID 130424072
5-methoxy-4-methyl-2,5-dioxopentanoic acid
CID 174869002
4-methyl-2-oxopentanoic acid;2-oxopentanoic acid
CID 159940817
4-hydroxy-2,5-dioxopentanoic acid
CID 163405135

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid?
The IUPAC name of (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid (CID 5459929) is (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid.
What is the SMILES notation for (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid?
The canonical SMILES for (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid is C[C@@H](O)[C@H](O)CC(=O)C(=O)O.
What is the InChIKey of (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid?
The InChIKey is FRIWJYNKZPJVRL-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4-/m1/s1.
What are the key properties of (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid?
(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid has a molecular weight of 162.14 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dihydroxy-2-oxohexanoic acid is sourced from PubChem (CID 5459929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).