(3R)-3,4,5-trihydroxy-2-oxopentanoic acid

C5H8O6 — CID 123252799

IUPAC(3R)-3,4,5-trihydroxy-2-oxopentanoic acid
SMILESO=C(O)C(=O)[C@H](O)C(O)CO
InChIInChI=1S/C5H8O6/c6-1-2(7)3(8)4(9)5(10)11/h2-3,6-8H,1H2,(H,10,11)/t2?,3-/m1/s1
InChIKeyNKOHBIIOWAKHMF-ZJRLKYRESA-N
MW164.11 g/mol
LogP-2.65
Rot. Bonds4

About (3R)-3,4,5-trihydroxy-2-oxopentanoic acid

(3R)-3,4,5-trihydroxy-2-oxopentanoic acid (PubChem CID 123252799) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is (3R)-3,4,5-trihydroxy-2-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3,4,5-trihydroxy-2-oxopentanoic acid
PubChem CID123252799
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name(3R)-3,4,5-trihydroxy-2-oxopentanoic acid
SMILESO=C(O)C(=O)[C@H](O)C(O)CO
InChIInChI=1S/C5H8O6/c6-1-2(7)3(8)4(9)5(10)11/h2-3,6-8H,1H2,(H,10,11)/t2?,3-/m1/s1
InChIKeyNKOHBIIOWAKHMF-ZJRLKYRESA-N
XLogP-2.65
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3,4,5-trihydroxy-2-oxopentanoic 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

3,4,5,6-tetrahydroxy-2-oxohexanoic acid
CID 50
(3R,4S,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
CID 10198044
(4R)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
CID 56991692
CID 131879322
CID 131879322
(3R,4S,6R,7S,8S)-3,4,6,7,8,9-hexahydroxy-2-oxononanoic acid
CID 87684967
(3S,4S,5R,6R)-3,4,5,6,7,8-hexahydroxy-2-oxooctanoic acid
CID 87774501
(2R,3S)-2,3,4-trihydroxybutanoate
CID 162224671
(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
CID 162317109
3,4,5,6-tetrahydroxy-2-oxohexanoic acid;2,3,4,5-tetrahydroxypentanal
CID 160852759
(3S,4R)-N,3,4,5-tetrahydroxy-2-oxopentanamide
CID 54377470
(E)-5,6,7-trihydroxy-3-methylhept-2-en-4-one
CID 142665515
(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,5-trihydroxy-2-oxopentanoic acid?
The IUPAC name of (3R)-3,4,5-trihydroxy-2-oxopentanoic acid (CID 123252799) is (3R)-3,4,5-trihydroxy-2-oxopentanoic acid.
What is the SMILES notation for (3R)-3,4,5-trihydroxy-2-oxopentanoic acid?
The canonical SMILES for (3R)-3,4,5-trihydroxy-2-oxopentanoic acid is O=C(O)C(=O)[C@H](O)C(O)CO.
What is the InChIKey of (3R)-3,4,5-trihydroxy-2-oxopentanoic acid?
The InChIKey is NKOHBIIOWAKHMF-ZJRLKYRESA-N. The full InChI is InChI=1S/C5H8O6/c6-1-2(7)3(8)4(9)5(10)11/h2-3,6-8H,1H2,(H,10,11)/t2?,3-/m1/s1.
What are the key properties of (3R)-3,4,5-trihydroxy-2-oxopentanoic acid?
(3R)-3,4,5-trihydroxy-2-oxopentanoic acid has a molecular weight of 164.11 g/mol, XLogP of -2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,5-trihydroxy-2-oxopentanoic acid is sourced from PubChem (CID 123252799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).