2,3-dihydroxybutanedioic acid

C4H6O6 — CID 875

IUPAC2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyFEWJPZIEWOKRBE-UHFFFAOYSA-N
MW150.09 g/mol
LogP-2.12
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid

2,3-dihydroxybutanedioic acid (PubChem CID 875) has the molecular formula C4H6O6 and a molecular weight of 150.09 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid
PubChem CID875
Molecular FormulaC4H6O6
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Name2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyFEWJPZIEWOKRBE-UHFFFAOYSA-N
XLogP-2.12
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid?
The IUPAC name of 2,3-dihydroxybutanedioic acid (CID 875) is 2,3-dihydroxybutanedioic acid.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid?
The canonical SMILES for 2,3-dihydroxybutanedioic acid is O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid?
The InChIKey is FEWJPZIEWOKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid?
2,3-dihydroxybutanedioic acid has a molecular weight of 150.09 g/mol, XLogP of -2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).