sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride

C6H10ClNaO8 — CID 86661525

IUPACsodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
SMILESCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+].[OH-]
InChIInChI=1S/C6H8O7.ClH.Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H;;1H2/q;;+1;/p-1
InChIKeyHXMWJLVXIHYART-UHFFFAOYSA-M
MW268.58 g/mol
LogP-4.00
Rot. Bonds5

About sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride

sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride (PubChem CID 86661525) has the molecular formula C6H10ClNaO8 and a molecular weight of 268.58 g/mol. Its IUPAC name is sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
PubChem CID86661525
Molecular FormulaC6H10ClNaO8
Molecular Weight268.58 g/mol
Exact Mass268.00
IUPAC Namesodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
SMILESCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+].[OH-]
InChIInChI=1S/C6H8O7.ClH.Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H;;1H2/q;;+1;/p-1
InChIKeyHXMWJLVXIHYART-UHFFFAOYSA-M
XLogP-4.00
TPSA162.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.58
LogP ≤ 5-4.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
CID 173339742
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
CID 173238603
CID 173238603
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride?
The IUPAC name of sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride (CID 86661525) is sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride.
What is the SMILES notation for sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride?
The canonical SMILES for sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride is Cl.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+].[OH-].
What is the InChIKey of sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride?
The InChIKey is HXMWJLVXIHYART-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O7.ClH.Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H;;1H2/q;;+1;/p-1.
What are the key properties of sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride?
sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride has a molecular weight of 268.58 g/mol, XLogP of -4.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride is sourced from PubChem (CID 86661525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).