trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid

C7H13Na3O7 — CID 173461711

IUPACtrisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
SMILESCOCC(CC(=O)O)(C(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H10O7.3Na.3H/c1-14-3-7(5(10)11,6(12)13)2-4(8)9;;;;;;/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;;;;;/q;3*+1;3*-1
InChIKeyNARATEXDOYZUSN-UHFFFAOYSA-N
MW278.14 g/mol
LogP-9.39
Rot. Bonds6

About trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid

trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid (PubChem CID 173461711) has the molecular formula C7H13Na3O7 and a molecular weight of 278.14 g/mol. Its IUPAC name is trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid.

Molecular Properties

Compound Nametrisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
PubChem CID173461711
Molecular FormulaC7H13Na3O7
Molecular Weight278.14 g/mol
Exact Mass278.04
IUPAC Nametrisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
SMILESCOCC(CC(=O)O)(C(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H10O7.3Na.3H/c1-14-3-7(5(10)11,6(12)13)2-4(8)9;;;;;;/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;;;;;/q;3*+1;3*-1
InChIKeyNARATEXDOYZUSN-UHFFFAOYSA-N
XLogP-9.39
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 5-9.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 87220292
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pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
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magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
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CID 56990519
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Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid?
The IUPAC name of trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid (CID 173461711) is trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid.
What is the SMILES notation for trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid?
The canonical SMILES for trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid is COCC(CC(=O)O)(C(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid?
The InChIKey is NARATEXDOYZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7.3Na.3H/c1-14-3-7(5(10)11,6(12)13)2-4(8)9;;;;;;/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid?
trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid has a molecular weight of 278.14 g/mol, XLogP of -9.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid is sourced from PubChem (CID 173461711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).