disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate

C8H10Na2O11 — CID 175410241

IUPACdisodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate
SMILESO=C(O)C(O)C(O)C(=O)O.O=C([O-])CC(O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O6.C4H6O5.2Na/c5-1(3(7)8)2(6)4(9)10;5-2(4(8)9)1-3(6)7;;/h1-2,5-6H,(H,7,8)(H,9,10);2,5H,1H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2
InChIKeyIMIYGRQCCBRJFC-UHFFFAOYSA-L
MW328.14 g/mol
LogP-11.88
Rot. Bonds6

About disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate

disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate (PubChem CID 175410241) has the molecular formula C8H10Na2O11 and a molecular weight of 328.14 g/mol. Its IUPAC name is disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate.

Molecular Properties

Compound Namedisodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate
PubChem CID175410241
Molecular FormulaC8H10Na2O11
Molecular Weight328.14 g/mol
Exact Mass328.00
IUPAC Namedisodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate
SMILESO=C(O)C(O)C(O)C(=O)O.O=C([O-])CC(O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O6.C4H6O5.2Na/c5-1(3(7)8)2(6)4(9)10;5-2(4(8)9)1-3(6)7;;/h1-2,5-6H,(H,7,8)(H,9,10);2,5H,1H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2
InChIKeyIMIYGRQCCBRJFC-UHFFFAOYSA-L
XLogP-11.88
TPSA215.55 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 5-11.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate 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

disodium;(2S)-2-hydroxybutanedioate
CID 6097189
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792
disilver;2-hydroxybutanedioate
CID 14299093
tris(2-hydroxybutanedioate);bis(yttrium(3+))
CID 173103435
tris(2-hydroxybutanedioate);bis(terbium(3+))
CID 173160363
cadmium(2+);2-hydroxybutanedioate
CID 87607349
sodium 3,4-dihydroxy-4-oxobutanoate
CID 23678821
sodium (3S)-3,4-dihydroxy-4-oxobutanoate
CID 24802275
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139
calcium;hydron;bis(2-hydroxybutanedioate)
CID 165411854
calcium;hydron;bis(2-hydroxybutanedioate);dihydroxide
CID 162394401

Frequently Asked Questions

What is the IUPAC name of disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate?
The IUPAC name of disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate (CID 175410241) is disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate.
What is the SMILES notation for disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate?
The canonical SMILES for disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate is O=C(O)C(O)C(O)C(=O)O.O=C([O-])CC(O)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate?
The InChIKey is IMIYGRQCCBRJFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.C4H6O5.2Na/c5-1(3(7)8)2(6)4(9)10;5-2(4(8)9)1-3(6)7;;/h1-2,5-6H,(H,7,8)(H,9,10);2,5H,1H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2.
What are the key properties of disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate?
disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate has a molecular weight of 328.14 g/mol, XLogP of -11.88, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate is sourced from PubChem (CID 175410241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).