2,3-dihydroxybutanedioic acid;oxaldehydic acid

C6H8O9 — CID 163565865

IUPAC2,3-dihydroxybutanedioic acid;oxaldehydic acid
SMILESO=C(O)C(O)C(O)C(=O)O.O=CC(=O)O
InChIInChI=1S/C4H6O6.C2H2O3/c5-1(3(7)8)2(6)4(9)10;3-1-2(4)5/h1-2,5-6H,(H,7,8)(H,9,10);1H,(H,4,5)
InChIKeyFVCXHFHXTGGNDI-UHFFFAOYSA-N
MW224.12 g/mol
LogP-2.85
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;oxaldehydic acid

2,3-dihydroxybutanedioic acid;oxaldehydic acid (PubChem CID 163565865) has the molecular formula C6H8O9 and a molecular weight of 224.12 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;oxaldehydic acid.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;oxaldehydic acid
PubChem CID163565865
Molecular FormulaC6H8O9
Molecular Weight224.12 g/mol
Exact Mass224.02
IUPAC Name2,3-dihydroxybutanedioic acid;oxaldehydic acid
SMILESO=C(O)C(O)C(O)C(=O)O.O=CC(=O)O
InChIInChI=1S/C4H6O6.C2H2O3/c5-1(3(7)8)2(6)4(9)10;3-1-2(4)5/h1-2,5-6H,(H,7,8)(H,9,10);1H,(H,4,5)
InChIKeyFVCXHFHXTGGNDI-UHFFFAOYSA-N
XLogP-2.85
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 5-2.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;oxaldehydic acid?
The IUPAC name of 2,3-dihydroxybutanedioic acid;oxaldehydic acid (CID 163565865) is 2,3-dihydroxybutanedioic acid;oxaldehydic acid.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;oxaldehydic acid?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;oxaldehydic acid is O=C(O)C(O)C(O)C(=O)O.O=CC(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;oxaldehydic acid?
The InChIKey is FVCXHFHXTGGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.C2H2O3/c5-1(3(7)8)2(6)4(9)10;3-1-2(4)5/h1-2,5-6H,(H,7,8)(H,9,10);1H,(H,4,5).
What are the key properties of 2,3-dihydroxybutanedioic acid;oxaldehydic acid?
2,3-dihydroxybutanedioic acid;oxaldehydic acid has a molecular weight of 224.12 g/mol, XLogP of -2.85, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;oxaldehydic acid is sourced from PubChem (CID 163565865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).