disodium;(2S)-2-hydroxybutanedioate

C4H4Na2O5 — CID 6097189

IUPACdisodium;(2S)-2-hydroxybutanedioate
SMILESO=C([O-])C[C@H](O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyWPUMTJGUQUYPIV-JIZZDEOASA-L
MW178.05 g/mol
LogP-9.75
Rot. Bonds3

About disodium;(2S)-2-hydroxybutanedioate

disodium;(2S)-2-hydroxybutanedioate (PubChem CID 6097189) has the molecular formula C4H4Na2O5 and a molecular weight of 178.05 g/mol. Its IUPAC name is disodium;(2S)-2-hydroxybutanedioate.

Molecular Properties

Compound Namedisodium;(2S)-2-hydroxybutanedioate
PubChem CID6097189
Molecular FormulaC4H4Na2O5
Molecular Weight178.05 g/mol
Exact Mass177.99
IUPAC Namedisodium;(2S)-2-hydroxybutanedioate
SMILESO=C([O-])C[C@H](O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyWPUMTJGUQUYPIV-JIZZDEOASA-L
XLogP-9.75
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.05
LogP ≤ 5-9.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139
calcium;hydron;bis(2-hydroxybutanedioate)
CID 165411854
calcium;hydron;bis(2-hydroxybutanedioate);dihydroxide
CID 162394401
disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate
CID 175410241
sodium (3S)-3,4-dihydroxy-4-oxobutanoate
CID 24802275
sodium 3,4-dihydroxy-4-oxobutanoate
CID 23678821

Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-2-hydroxybutanedioate?
The IUPAC name of disodium;(2S)-2-hydroxybutanedioate (CID 6097189) is disodium;(2S)-2-hydroxybutanedioate.
What is the SMILES notation for disodium;(2S)-2-hydroxybutanedioate?
The canonical SMILES for disodium;(2S)-2-hydroxybutanedioate is O=C([O-])C[C@H](O)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2S)-2-hydroxybutanedioate?
The InChIKey is WPUMTJGUQUYPIV-JIZZDEOASA-L. The full InChI is InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1.
What are the key properties of disodium;(2S)-2-hydroxybutanedioate?
disodium;(2S)-2-hydroxybutanedioate has a molecular weight of 178.05 g/mol, XLogP of -9.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-2-hydroxybutanedioate is sourced from PubChem (CID 6097189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).