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

C10H14N4O6 — CID 69367619

IUPAC(2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)
SMILESO=C([O-])[C@H](O)[C@@H](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)/t1-,2-;;/m1../s1
InChIKeyXWLFNGAJQBDCKY-OLXYHTOASA-N
MW286.24 g/mol
LogP-5.13
Rot. Bonds3

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

(2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) (PubChem CID 69367619) has the molecular formula C10H14N4O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium).

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)
PubChem CID69367619
Molecular FormulaC10H14N4O6
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)
SMILESO=C([O-])[C@H](O)[C@@H](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)/t1-,2-;;/m1../s1
InChIKeyXWLFNGAJQBDCKY-OLXYHTOASA-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

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Related Compounds

Pentanedioic acid, 2-oxo-, compd. with 1H-imidazole (1:2)
CID 21121834
Imidazole malate
CID 18448817
Imidazole tartrate
CID 21715458
2-hydroxypropanoic acid;1H-imidazole
CID 23496819
Bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum
CID 499657
1-Butyl-3-methylimidazolium (r,r)-tartrate
CID 129767762
Imidazolium tartrate
CID 138373845
2-Methylimidazolium d-tartrate
CID 138454495
copper;bis((2S)-2-hydroxypropanoate);1H-imidazole
CID 139036628
1-Methylimidazolium D-Tartrate
CID 139045355
L-Tartaric Acid and 1,2-dimethylimidazole
CID 139045358
L-Tartaric Acid and 4-Methylimidazole
CID 139045409

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) (CID 69367619) is (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium).
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) is O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
The InChIKey is XWLFNGAJQBDCKY-OLXYHTOASA-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)/t1-,2-;;/m1../s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)?
(2R,3R)-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 (2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium) is sourced from PubChem (CID 69367619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).