sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide

C6H13NaO8 — CID 173385796

IUPACsodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
SMILESO=C(O)CC(O)C(=O)O.OCCO.[Na+].[OH-]
InChIInChI=1S/C4H6O5.C2H6O2.Na.H2O/c5-2(4(8)9)1-3(6)7;3-1-2-4;;/h2,5H,1H2,(H,6,7)(H,8,9);3-4H,1-2H2;;1H2/q;;+1;/p-1
InChIKeyAJMDMBDSEDZWAM-UHFFFAOYSA-M
MW236.15 g/mol
LogP-5.30
Rot. Bonds4

About sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide

sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide (PubChem CID 173385796) has the molecular formula C6H13NaO8 and a molecular weight of 236.15 g/mol. Its IUPAC name is sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide.

Molecular Properties

Compound Namesodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
PubChem CID173385796
Molecular FormulaC6H13NaO8
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Namesodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
SMILESO=C(O)CC(O)C(=O)O.OCCO.[Na+].[OH-]
InChIInChI=1S/C4H6O5.C2H6O2.Na.H2O/c5-2(4(8)9)1-3(6)7;3-1-2-4;;/h2,5H,1H2,(H,6,7)(H,8,9);3-4H,1-2H2;;1H2/q;;+1;/p-1
InChIKeyAJMDMBDSEDZWAM-UHFFFAOYSA-M
XLogP-5.30
TPSA165.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 5-5.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide?
The IUPAC name of sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide (CID 173385796) is sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide.
What is the SMILES notation for sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide?
The canonical SMILES for sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide is O=C(O)CC(O)C(=O)O.OCCO.[Na+].[OH-].
What is the InChIKey of sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide?
The InChIKey is AJMDMBDSEDZWAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O5.C2H6O2.Na.H2O/c5-2(4(8)9)1-3(6)7;3-1-2-4;;/h2,5H,1H2,(H,6,7)(H,8,9);3-4H,1-2H2;;1H2/q;;+1;/p-1.
What are the key properties of sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide?
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide has a molecular weight of 236.15 g/mol, XLogP of -5.30, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide is sourced from PubChem (CID 173385796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).