sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate

C6H23NaO14 — CID 173006501

IUPACsodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
SMILESO.O.O.O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O7.Na.7H2O.H/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);;7*1H2;/q;+1;;;;;;;;-1
InChIKeyWELJTKNQXZNWHL-UHFFFAOYSA-N
MW342.23 g/mol
LogP-9.90
Rot. Bonds5

About sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate

sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate (PubChem CID 173006501) has the molecular formula C6H23NaO14 and a molecular weight of 342.23 g/mol. Its IUPAC name is sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate.

Molecular Properties

Compound Namesodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
PubChem CID173006501
Molecular FormulaC6H23NaO14
Molecular Weight342.23 g/mol
Exact Mass342.10
IUPAC Namesodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
SMILESO.O.O.O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O7.Na.7H2O.H/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);;7*1H2;/q;+1;;;;;;;;-1
InChIKeyWELJTKNQXZNWHL-UHFFFAOYSA-N
XLogP-9.90
TPSA352.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 5-9.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
CID 173238603
CID 173238603
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 175537707
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate?
The IUPAC name of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate (CID 173006501) is sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate.
What is the SMILES notation for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate?
The canonical SMILES for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate is O.O.O.O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate?
The InChIKey is WELJTKNQXZNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Na.7H2O.H/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);;7*1H2;/q;+1;;;;;;;;-1.
What are the key properties of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate?
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate has a molecular weight of 342.23 g/mol, XLogP of -9.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate is sourced from PubChem (CID 173006501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).