sodium;2,3-dihydroxybutanedioic acid;acetate

C6H9NaO8 — CID 89497134

IUPACsodium;2,3-dihydroxybutanedioic acid;acetate
SMILESCC(=O)[O-].O=C(O)C(O)C(O)C(=O)O.[Na+]
InChIInChI=1S/C4H6O6.C2H4O2.Na/c5-1(3(7)8)2(6)4(9)10;1-2(3)4;/h1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);/q;;+1/p-1
InChIKeyOHZIRJBLJOOICZ-UHFFFAOYSA-M
MW232.12 g/mol
LogP-6.36
Rot. Bonds3

About sodium;2,3-dihydroxybutanedioic acid;acetate

sodium;2,3-dihydroxybutanedioic acid;acetate (PubChem CID 89497134) has the molecular formula C6H9NaO8 and a molecular weight of 232.12 g/mol. Its IUPAC name is sodium;2,3-dihydroxybutanedioic acid;acetate.

Molecular Properties

Compound Namesodium;2,3-dihydroxybutanedioic acid;acetate
PubChem CID89497134
Molecular FormulaC6H9NaO8
Molecular Weight232.12 g/mol
Exact Mass232.02
IUPAC Namesodium;2,3-dihydroxybutanedioic acid;acetate
SMILESCC(=O)[O-].O=C(O)C(O)C(O)C(=O)O.[Na+]
InChIInChI=1S/C4H6O6.C2H4O2.Na/c5-1(3(7)8)2(6)4(9)10;1-2(3)4;/h1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);/q;;+1/p-1
InChIKeyOHZIRJBLJOOICZ-UHFFFAOYSA-M
XLogP-6.36
TPSA155.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 5-6.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)
CID 86603507
sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
CID 162037080
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride
CID 173404897
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 139045346
sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
CID 158452904
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
sodium;acetic acid;propan-2-ol;acetate
CID 161389627
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446

Frequently Asked Questions

What is the IUPAC name of sodium;2,3-dihydroxybutanedioic acid;acetate?
The IUPAC name of sodium;2,3-dihydroxybutanedioic acid;acetate (CID 89497134) is sodium;2,3-dihydroxybutanedioic acid;acetate.
What is the SMILES notation for sodium;2,3-dihydroxybutanedioic acid;acetate?
The canonical SMILES for sodium;2,3-dihydroxybutanedioic acid;acetate is CC(=O)[O-].O=C(O)C(O)C(O)C(=O)O.[Na+].
What is the InChIKey of sodium;2,3-dihydroxybutanedioic acid;acetate?
The InChIKey is OHZIRJBLJOOICZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O6.C2H4O2.Na/c5-1(3(7)8)2(6)4(9)10;1-2(3)4;/h1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;2,3-dihydroxybutanedioic acid;acetate?
sodium;2,3-dihydroxybutanedioic acid;acetate has a molecular weight of 232.12 g/mol, XLogP of -6.36, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,3-dihydroxybutanedioic acid;acetate is sourced from PubChem (CID 89497134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).