sodium;2-hydroxybutanedioate;dihydrate

C4H8NaO7- — CID 22761792

IUPACsodium;2-hydroxybutanedioate;dihydrate
SMILESO.O.O=C([O-])CC(O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H6O5.Na.2H2O/c5-2(4(8)9)1-3(6)7;;;/h2,5H,1H2,(H,6,7)(H,8,9);;2*1H2/q;+1;;/p-2
InChIKeyASVDLBFHXKXPER-UHFFFAOYSA-L
MW191.09 g/mol
LogP-8.41
Rot. Bonds3

About sodium;2-hydroxybutanedioate;dihydrate

sodium;2-hydroxybutanedioate;dihydrate (PubChem CID 22761792) has the molecular formula C4H8NaO7- and a molecular weight of 191.09 g/mol. Its IUPAC name is sodium;2-hydroxybutanedioate;dihydrate.

Molecular Properties

Compound Namesodium;2-hydroxybutanedioate;dihydrate
PubChem CID22761792
Molecular FormulaC4H8NaO7-
Molecular Weight191.09 g/mol
Exact Mass191.02
IUPAC Namesodium;2-hydroxybutanedioate;dihydrate
SMILESO.O.O=C([O-])CC(O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H6O5.Na.2H2O/c5-2(4(8)9)1-3(6)7;;;/h2,5H,1H2,(H,6,7)(H,8,9);;2*1H2/q;+1;;/p-2
InChIKeyASVDLBFHXKXPER-UHFFFAOYSA-L
XLogP-8.41
TPSA163.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 5-8.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxybutanedioate;dihydrate?
The IUPAC name of sodium;2-hydroxybutanedioate;dihydrate (CID 22761792) is sodium;2-hydroxybutanedioate;dihydrate.
What is the SMILES notation for sodium;2-hydroxybutanedioate;dihydrate?
The canonical SMILES for sodium;2-hydroxybutanedioate;dihydrate is O.O.O=C([O-])CC(O)C(=O)[O-].[Na+].
What is the InChIKey of sodium;2-hydroxybutanedioate;dihydrate?
The InChIKey is ASVDLBFHXKXPER-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O5.Na.2H2O/c5-2(4(8)9)1-3(6)7;;;/h2,5H,1H2,(H,6,7)(H,8,9);;2*1H2/q;+1;;/p-2.
What are the key properties of sodium;2-hydroxybutanedioate;dihydrate?
sodium;2-hydroxybutanedioate;dihydrate has a molecular weight of 191.09 g/mol, XLogP of -8.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxybutanedioate;dihydrate is sourced from PubChem (CID 22761792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).