sodium;2-hydroxypropanoate;oxalic acid

C5H7NaO7 — CID 172762008

IUPACsodium;2-hydroxypropanoate;oxalic acid
SMILESCC(O)C(=O)[O-].O=C(O)C(=O)O.[Na+]
InChIInChI=1S/C3H6O3.C2H2O4.Na/c1-2(4)3(5)6;3-1(4)2(5)6;/h2,4H,1H3,(H,5,6);(H,3,4)(H,5,6);/q;;+1/p-1
InChIKeyLUSHMCRKXXHVBH-UHFFFAOYSA-M
MW202.09 g/mol
LogP-5.72
Rot. Bonds1

About sodium;2-hydroxypropanoate;oxalic acid

sodium;2-hydroxypropanoate;oxalic acid (PubChem CID 172762008) has the molecular formula C5H7NaO7 and a molecular weight of 202.09 g/mol. Its IUPAC name is sodium;2-hydroxypropanoate;oxalic acid.

Molecular Properties

Compound Namesodium;2-hydroxypropanoate;oxalic acid
PubChem CID172762008
Molecular FormulaC5H7NaO7
Molecular Weight202.09 g/mol
Exact Mass202.01
IUPAC Namesodium;2-hydroxypropanoate;oxalic acid
SMILESCC(O)C(=O)[O-].O=C(O)C(=O)O.[Na+]
InChIInChI=1S/C3H6O3.C2H2O4.Na/c1-2(4)3(5)6;3-1(4)2(5)6;/h2,4H,1H3,(H,5,6);(H,3,4)(H,5,6);/q;;+1/p-1
InChIKeyLUSHMCRKXXHVBH-UHFFFAOYSA-M
XLogP-5.72
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 5-5.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropanoate;tantalum(5+)
CID 172796362
sodium;pentakis(2-hydroxypropanoate);thorium(4+)
CID 159864305
silver (2R)-2-hydroxypropanoate
CID 14178856
potassium 2-hydroxypropanoate
CID 23671663
copper bis(2-hydroxypropanoate)
CID 13145
iodanium 2-hydroxypropanoate
CID 158316585
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
strontium bis(2-hydroxypropanoate)
CID 91886528
gold(3+);tris(2-hydroxypropanoate)
CID 157164422
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxypropanoate;oxalic acid?
The IUPAC name of sodium;2-hydroxypropanoate;oxalic acid (CID 172762008) is sodium;2-hydroxypropanoate;oxalic acid.
What is the SMILES notation for sodium;2-hydroxypropanoate;oxalic acid?
The canonical SMILES for sodium;2-hydroxypropanoate;oxalic acid is CC(O)C(=O)[O-].O=C(O)C(=O)O.[Na+].
What is the InChIKey of sodium;2-hydroxypropanoate;oxalic acid?
The InChIKey is LUSHMCRKXXHVBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3.C2H2O4.Na/c1-2(4)3(5)6;3-1(4)2(5)6;/h2,4H,1H3,(H,5,6);(H,3,4)(H,5,6);/q;;+1/p-1.
What are the key properties of sodium;2-hydroxypropanoate;oxalic acid?
sodium;2-hydroxypropanoate;oxalic acid has a molecular weight of 202.09 g/mol, XLogP of -5.72, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxypropanoate;oxalic acid is sourced from PubChem (CID 172762008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).