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

C6H8O8 — CID 16638226

IUPAC(2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid
SMILESO=C(O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H8O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-3,7-9H,(H,11,12)(H,13,14)/t1-,2-,3-/m1/s1
InChIKeyIUQNAGFJAIOCNL-ADNNCPOWSA-N
MW208.12 g/mol
LogP-3.19
Rot. Bonds5

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

(2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid (PubChem CID 16638226) has the molecular formula C6H8O8 and a molecular weight of 208.12 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid
PubChem CID16638226
Molecular FormulaC6H8O8
Molecular Weight208.12 g/mol
Exact Mass208.02
IUPAC Name(2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid
SMILESO=C(O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H8O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-3,7-9H,(H,11,12)(H,13,14)/t1-,2-,3-/m1/s1
InChIKeyIUQNAGFJAIOCNL-ADNNCPOWSA-N
XLogP-3.19
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-3.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

(2R,3S,4S)-2,3,4-trihydroxy-5-oxohexanedioic acid
CID 13295408
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6,7-dioxooctanoic acid
CID 23517313
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
3,4,5,6-tetrahydroxy-2-oxohexanoic acid
CID 50
(3R,4S,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
CID 10198044
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
CID 131879322
CID 131879322

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid?
The IUPAC name of (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid (CID 16638226) is (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid.
What is the SMILES notation for (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid?
The canonical SMILES for (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid is O=C(O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid?
The InChIKey is IUQNAGFJAIOCNL-ADNNCPOWSA-N. The full InChI is InChI=1S/C6H8O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-3,7-9H,(H,11,12)(H,13,14)/t1-,2-,3-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid?
(2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid has a molecular weight of 208.12 g/mol, XLogP of -3.19, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4-trihydroxy-5-oxohexanedioic acid is sourced from PubChem (CID 16638226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).