sodium;ethane-1,1,1-tricarboxylic acid;hydride

C5H7NaO6 — CID 174341245

IUPACsodium;ethane-1,1,1-tricarboxylic acid;hydride
SMILESCC(C(=O)O)(C(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H6O6.Na.H/c1-5(2(6)7,3(8)9)4(10)11;;/h1H3,(H,6,7)(H,8,9)(H,10,11);;/q;+1;-1
InChIKeyBKAHMFLIZOGJEF-UHFFFAOYSA-N
MW186.09 g/mol
LogP-3.64
Rot. Bonds3

About sodium;ethane-1,1,1-tricarboxylic acid;hydride

sodium;ethane-1,1,1-tricarboxylic acid;hydride (PubChem CID 174341245) has the molecular formula C5H7NaO6 and a molecular weight of 186.09 g/mol. Its IUPAC name is sodium;ethane-1,1,1-tricarboxylic acid;hydride.

Molecular Properties

Compound Namesodium;ethane-1,1,1-tricarboxylic acid;hydride
PubChem CID174341245
Molecular FormulaC5H7NaO6
Molecular Weight186.09 g/mol
Exact Mass186.01
IUPAC Namesodium;ethane-1,1,1-tricarboxylic acid;hydride
SMILESCC(C(=O)O)(C(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H6O6.Na.H/c1-5(2(6)7,3(8)9)4(10)11;;/h1H3,(H,6,7)(H,8,9)(H,10,11);;/q;+1;-1
InChIKeyBKAHMFLIZOGJEF-UHFFFAOYSA-N
XLogP-3.64
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 5-3.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
disodium;(1-carboxy-1-hydroxyethyl)-oxosulfanium;hydride
CID 175039927
tricosasodium;acetic acid;hydride
CID 173423110
trisodium;acetic acid;hydride
CID 172996834
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
sodium;2,2-dihydroxypropanedioic acid;hydride
CID 3084548

Frequently Asked Questions

What is the IUPAC name of sodium;ethane-1,1,1-tricarboxylic acid;hydride?
The IUPAC name of sodium;ethane-1,1,1-tricarboxylic acid;hydride (CID 174341245) is sodium;ethane-1,1,1-tricarboxylic acid;hydride.
What is the SMILES notation for sodium;ethane-1,1,1-tricarboxylic acid;hydride?
The canonical SMILES for sodium;ethane-1,1,1-tricarboxylic acid;hydride is CC(C(=O)O)(C(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;ethane-1,1,1-tricarboxylic acid;hydride?
The InChIKey is BKAHMFLIZOGJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O6.Na.H/c1-5(2(6)7,3(8)9)4(10)11;;/h1H3,(H,6,7)(H,8,9)(H,10,11);;/q;+1;-1.
What are the key properties of sodium;ethane-1,1,1-tricarboxylic acid;hydride?
sodium;ethane-1,1,1-tricarboxylic acid;hydride has a molecular weight of 186.09 g/mol, XLogP of -3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane-1,1,1-tricarboxylic acid;hydride is sourced from PubChem (CID 174341245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).