2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)

C10H14N4O6 — CID 138373845

IUPAC2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)
SMILESO=C([O-])C(O)C(O)C(=O)[O-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/C4H6O6.2C3H4N2/c5-1(3(7)8)2(6)4(9)10;2*1-2-5-3-4-1/h1-2,5-6H,(H,7,8)(H,9,10);2*1-3H,(H,4,5)
InChIKeyXWLFNGAJQBDCKY-UHFFFAOYSA-N
MW286.24 g/mol
LogP-5.13
Rot. Bonds3

About 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)

2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) (PubChem CID 138373845) has the molecular formula C10H14N4O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium).

Molecular Properties

Compound Name2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)
PubChem CID138373845
Molecular FormulaC10H14N4O6
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC Name2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)
SMILESO=C([O-])C(O)C(O)C(=O)[O-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/C4H6O6.2C3H4N2/c5-1(3(7)8)2(6)4(9)10;2*1-2-5-3-4-1/h1-2,5-6H,(H,7,8)(H,9,10);2*1-3H,(H,4,5)
InChIKeyXWLFNGAJQBDCKY-UHFFFAOYSA-N
XLogP-5.13
TPSA180.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-5.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
The IUPAC name of 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) (CID 138373845) is 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium).
What is the SMILES notation for 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
The canonical SMILES for 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) is O=C([O-])C(O)C(O)C(=O)[O-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.
What is the InChIKey of 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
The InChIKey is XWLFNGAJQBDCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.2C3H4N2/c5-1(3(7)8)2(6)4(9)10;2*1-2-5-3-4-1/h1-2,5-6H,(H,7,8)(H,9,10);2*1-3H,(H,4,5).
What are the key properties of 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) has a molecular weight of 286.24 g/mol, XLogP of -5.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) is sourced from PubChem (CID 138373845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).